data_BPPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPt4
_chemical_formula_sum   'B2 P2 Pt8'
_cell_volume   191.81
_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  0.1  0.0  1.0
  B  B1  1  0.68  0.55  0.0  1.0
  P  P2  1  0.0  0.0  0.85  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Pt  Pt4  1  0.0  0.1  0.85  1.0
  Pt  Pt5  1  0.68  0.55  0.85  1.0
  Pt  Pt6  1  0.34  0.32  0.21  1.0
  Pt  Pt7  1  0.68  0.0  0.21  1.0
  Pt  Pt8  1  0.66  0.32  0.21  1.0
  Pt  Pt9  1  0.68  0.0  0.49  1.0
  Pt  Pt10  1  0.34  0.32  0.49  1.0
  Pt  Pt11  1  0.66  0.32  0.49  1.0

data_BPPt4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPt4
_chemical_formula_sum   'B2 P2 Pt8'
_cell_volume   191.81
_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  0.1  0.0  1.0
  B  B1  1  0.68  0.55  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.85  1.0
  Pt  Pt4  1  0.0  0.1  0.85  1.0
  Pt  Pt5  1  0.34  0.32  0.21  1.0
  Pt  Pt6  1  0.34  0.32  0.49  1.0
  Pt  Pt7  1  0.66  0.32  0.21  1.0
  Pt  Pt8  1  0.66  0.32  0.49  1.0
  Pt  Pt9  1  0.68  0.0  0.21  1.0
  Pt  Pt10  1  0.68  0.0  0.49  1.0
  Pt  Pt11  1  0.68  0.55  0.85  1.0

B B P P Pt Pt Pt Pt Pt Pt Pt Pt