data_[Bi2B2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2031]
_cell_length_b [6.5561]
_cell_length_c [6.7902]
_cell_angle_alpha [84.4265]
_cell_angle_beta [74.5144]
_cell_angle_gamma [82.5824]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiBPt3]
_chemical_formula_sum '[Bi2 B2 Pt6]'
_cell_volume [178.4228]
_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
[
  Bi  Bi0  1  0.1866  0.2748  0.2118  1.0
  Bi  Bi1  1  0.5218  0.0761  0.6541  1.0
  B  B2  1  0.5103  0.6840  0.3780  1.0
  B  B3  1  0.8393  0.5907  0.7878  1.0
  Pt  Pt4  1  0.3966  0.5098  0.6992  1.0
  Pt  Pt5  1  0.4623  0.6598  0.0793  1.0
  Pt  Pt6  1  0.7153  0.9669  0.2432  1.0
  Pt  Pt7  1  0.8326  0.2874  0.9180  1.0
  Pt  Pt8  1  0.9826  0.6400  0.4577  1.0
  Pt  Pt9  1  0.9899  0.8679  0.8479  1.0
]