data_BPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   5.63
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt2
_chemical_formula_sum   'B2 Pt4'
_cell_volume   80.24
_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
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.16  0.82  0.65  1.0
  Pt  Pt2  1  0.1  0.74  0.0  1.0
  Pt  Pt3  1  0.22  0.89  0.0  1.0
  Pt  Pt4  1  0.26  0.7  0.65  1.0
  Pt  Pt5  1  0.06  0.93  0.65  1.0

data_BPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.32
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPt2
_chemical_formula_sum   'B2 Pt4'
_cell_volume   80.24
_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
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.65  0.16  0.82  1.0
  Pt  Pt2  1  0.0  0.1  0.74  1.0
  Pt  Pt3  1  0.0  0.22  0.89  1.0
  Pt  Pt4  1  0.65  0.06  0.93  1.0
  Pt  Pt5  1  0.65  0.26  0.7  1.0

B B Pt Pt Pt Pt
B B Pt Pt Pt Pt 0 5 o - - 0 3 o - o 1 5 o o o 1 4 o o o 2 3 o o o 