data_BPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   147.92
_cell_angle_beta   125.95
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt3
_chemical_formula_sum   'B1 Pt3'
_cell_volume   54.93
_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  0.0  0.0  0.28  1.0
  Pt  Pt2  1  0.4  0.0  0.61  1.0
  Pt  Pt3  1  0.0  0.3  0.67  1.0

data_BPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.59
_cell_length_c   5.05
_cell_angle_alpha   117.03
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt3
_chemical_formula_sum   'B1 Pt3'
_cell_volume   54.93
_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  0.0  0.28  0.28  1.0
  Pt  Pt2  1  0.0  0.61  0.22  1.0
  Pt  Pt3  1  0.7  0.37  0.37  1.0

B Pt Pt Pt
B Pt Pt Pt 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 