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sbillingesbillinge
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Merge pull request #27 from cadenmyers13/tutorial1
doc: add bulk Ni tutorial to docs
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‎doc/source/data/Ni.cif‎

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data_New_Crystal
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_audit_creation_method 'generated by CrystalMaker 9.0.3'
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_cell_length_a 3.5200(0)
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_cell_length_b 3.5200(0)
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_cell_length_c 3.5200(0)
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_cell_angle_alpha 90.0000(0)
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_cell_angle_beta 90.0000(0)
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_cell_angle_gamma 90.0000(0)
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_symmetry_space_group_name_H-M 'F m3m'
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_symmetry_Int_Tables_number 225
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_symmetry_cell_setting cubic
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loop_
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_symmetry_equiv_pos_as_xyz
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'+x,+y,+z'
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'+x,1/2+y,1/2+z'
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'1/2+x,1/2+y,+z'
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'1/2+x,+y,1/2+z'
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'+z,+x,+y'
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'1/2+z,1/2+x,+y'
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'1/2+z,+x,1/2+y'
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'1/2+y,1/2+z,+x'
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'1/2-x,1/2+y,+z'
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'-z,+x,+y'
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'-z,+y,+x'
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'-z,1/2+y,1/2+x'
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'1/2-z,1/2+y,+x'
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'1/2-z,+y,1/2+x'
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loop_
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_atom_site_label
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_atom_site_type_symbol
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_atom_site_fract_x
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_atom_site_fract_y
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_atom_site_fract_z
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_atom_site_B_iso_or_equiv
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_atom_site_occupancy
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Ni1 Ni 0.0000 0.0000 0.0000 0.1 1.0

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