data_BSb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Pt
_chemical_formula_sum   'B1 Sb2 Pt1'
_cell_volume   82.37
_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  0.6  1.0
  Sb  Sb2  1  0.0  0.0  0.94  1.0
  Sb  Sb3  1  0.56  0.56  0.55  1.0
  Pt  Pt1  1  0.56  0.56  0.08  1.0

data_BSb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb2Pt
_chemical_formula_sum   'B2 Sb4 Pt2'
_cell_volume   164.74
_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  2  0.0  0.0  0.6  1.0
  Sb  Sb1  2  0.0  0.0  0.94  1.0
  Sb  Sb2  2  0.06  0.5  0.55  1.0
  Pt  Pt3  2  0.06  0.5  0.08  1.0

B Sb Sb Pt
B Sb Sb Pt 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 o o o 1 3 - - + 1 3 - o + 1 3 o - + 1 3 o o + 