data_[Ta20Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5818]
_cell_length_b [10.3985]
_cell_length_c [5.1809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta5Pt3]
_chemical_formula_sum '[Ta20 Pt12]'
_cell_volume [559.8904]
_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  8  0.0785  0.2204  0.0783  1.0
  Ta  Ta1  8  0.2205  0.0782  0.7239  1.0
  Ta  Ta2  4  0.0000  0.4946  0.7500  1.0
  Pt  Pt3  8  0.1652  0.3345  0.6578  1.0
  Pt  Pt4  4  0.0000  0.0005  0.2500  1.0
]