data_[Al4Ni2Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8875]
_cell_length_b [3.1249]
_cell_length_c [4.1477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2NiPt]
_chemical_formula_sum '[Al4 Ni2 Pt2]'
_cell_volume [109.6965]
_cell_formula_units_Z [2]
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  2  0.0050  0.0000  0.0486  1.0
  Al  Al1  2  0.2409  0.0000  0.6908  1.0
  Ni  Ni2  2  0.0081  0.5000  0.5663  1.0
  Pt  Pt3  2  0.2460  0.5000  0.1944  1.0
]