data_BOsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOsPt2
_chemical_formula_sum   'B1 Os1 Pt2'
_cell_volume   52.15
_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  0.62  1.0
  Os  Os1  1  0.38  0.38  0.7  1.0
  Pt  Pt2  1  0.0  0.0  0.72  1.0
  Pt  Pt3  1  0.38  0.38  0.05  1.0

data_BOsPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BOsPt2
_chemical_formula_sum   'B2 Os2 Pt4'
_cell_volume   104.31
_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  0.62  1.0
  Os  Os1  2  0.38  0.0  0.7  1.0
  Pt  Pt2  2  0.0  0.0  0.72  1.0
  Pt  Pt3  2  0.38  0.0  0.05  1.0

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