data_[Ta4B8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5893]
_cell_length_b [3.1260]
_cell_length_c [8.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TaB2Pt]
_chemical_formula_sum '[Ta4 B8 Pt4]'
_cell_volume [180.2867]
_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  0.1020  0.2500  0.1250  1.0
  B  B1  4  0.1929  0.2500  0.8487  1.0
  B  B2  4  0.2448  0.7500  0.9373  1.0
  Pt  Pt3  4  0.0366  0.2500  0.6304  1.0
]