data_[Al4Cu4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.6878]
_cell_length_b [7.9640]
_cell_length_c [4.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlCuPt]
_chemical_formula_sum '[Al4 Cu4 Pt4]'
_cell_volume [167.9690]
_cell_formula_units_Z [4]
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  0.0000  0.1009  0.2500  1
  Cu  Cu1  4  0.0000  0.4332  0.2500  1
  Pt  Pt2  4  0.0000  0.2227  0.7500  1
]