data_[Al2Cu2Pt2]
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 [P2_1/m]
_cell_length_a [4.4530]
_cell_length_b [4.3798]
_cell_length_c [4.8520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlCuPt]
_chemical_formula_sum '[Al2 Cu2 Pt2]'
_cell_volume [84.9134]
_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  0.2126  0.7500  0.4975  1.0
  Cu  Cu1  2  0.4718  0.2500  0.8461  1.0
  Pt  Pt2  2  0.1456  0.2500  0.2082  1.0
]