data_B4P2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B4P2Pt
_chemical_formula_sum   'B4 P2 Pt1'
_cell_volume   76.21
_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  0.52  0.52  0.0  1.0
  B  B1  1  0.24  0.24  0.0  1.0
  B  B2  1  0.24  0.52  0.0  1.0
  B  B3  1  0.52  0.24  0.0  1.0
  P  P4  1  0.38  0.0  0.68  1.0
  P  P5  1  0.0  0.38  0.68  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0

data_B4P2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B4P2Pt
_chemical_formula_sum   'B8 P4 Pt2'
_cell_volume   152.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.14  -0.0  1.0
  B  B1  2  0.02  0.5  -0.0  1.0
  B  B2  2  0.24  0.0  -0.0  1.0
  P  P3  4  0.19  0.19  0.68  1.0
  Pt  Pt4  2  0.0  0.0  0.0  1.0

B B B B P P Pt
B B B B P P Pt 0 2 o o o 0 3 o o o 1 6 o o o 1 2 o o o 1 3 o o o 1 4 o o - 1 5 o o - 2 5 o o - 3 4 o o - 