data_[Al10Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6299]
_cell_length_b [3.9663]
_cell_length_c [6.6501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlNi]
_chemical_formula_sum '[Al10 Ni10]'
_cell_volume [258.4501]
_cell_formula_units_Z [10]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Al  Al0  4  0.1281  0.5000  0.2448  1.0
  Al  Al1  4  0.1536  0.0000  0.8520  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  4  0.1017  0.0000  0.4445  1.0
  Ni  Ni4  4  0.2432  0.5000  0.7210  1.0
  Ni  Ni5  2  0.0000  0.0000  0.0000  1.0
]