data_[B8Pt8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1815]
_cell_length_b [3.2587]
_cell_length_c [6.5211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BPtCl]
_chemical_formula_sum '[B8 Pt8 Cl8]'
_cell_volume [427.3297]
_cell_formula_units_Z [8]
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
[
  B  B0  4  0.2469  0.5000  0.8519  1
  B  B1  4  0.2478  0.0000  0.6399  1
  Pt  Pt2  4  0.1805  0.5000  0.5827  1
  Pt  Pt3  4  0.1839  0.5000  0.0951  1
  Cl  Cl4  4  0.0884  0.5000  0.8476  1
  Cl  Cl5  4  0.1002  0.0000  0.3652  1
]