data_BPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   146.74
_cell_angle_beta   99.81
_cell_angle_gamma   89.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt2Br
_chemical_formula_sum   'B1 Pt2 Br1'
_cell_volume   86.86
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.22  0.9  1.0
  Pt  Pt3  1  0.57  0.32  0.0  1.0
  Br  Br1  1  0.0  0.54  0.0  1.0

data_BPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   80.19
_cell_angle_beta   73.37
_cell_angle_gamma   73.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt2Br
_chemical_formula_sum   'B1 Pt2 Br1'
_cell_volume   86.86
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.22  0.0  0.68  1.0
  Pt  Pt2  1  0.32  0.43  0.68  1.0
  Br  Br3  1  0.54  0.0  0.46  1.0

B Pt Pt Br