data_[Ta4Pd8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0866]
_cell_length_b [14.2346]
_cell_length_c [5.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ta(PdPt)2]
_chemical_formula_sum '[Ta4 Pd8 Pt8]'
_cell_volume [321.4570]
_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
[
  Ta  Ta0  4  0.0000  0.3901  0.4255  1.0
  Pd  Pd1  4  0.0000  0.0014  0.6775  1.0
  Pd  Pd2  4  0.0000  0.1903  0.6628  1.0
  Pt  Pt3  4  0.0000  0.1874  0.1742  1.0
  Pt  Pt4  4  0.0000  0.4125  0.9257  1.0
]