data_B2SbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   32.95
_cell_angle_beta   32.95
_cell_angle_gamma   32.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2SbPt
_chemical_formula_sum   'B2 Sb1 Pt1'
_cell_volume   54.68
_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  0.86  1.0
  B  B1  1  0.0  0.0  0.92  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.39  1.0

data_B2SbPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   3.36
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2SbPt
_chemical_formula_sum   'B4 Sb2 Pt2'
_cell_volume   109.36
_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  0.08  1.0
  B  B1  2  0.0  0.0  0.14  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  -0.0  0.0  0.61  1.0

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