data_OsPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   17.71
_cell_angle_beta   17.71
_cell_angle_gamma   17.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPt2Br
_chemical_formula_sum   'Os1 Pt2 Br1'
_cell_volume   68.26
_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
  Os  Os1  1  0.0  0.0  0.07  1.0
  Pt  Pt2  1  0.0  0.0  0.73  1.0
  Pt  Pt3  1  0.0  0.0  0.7  1.0
  Br  Br0  1  0.0  0.0  0.29  1.0

data_OsPt2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsPt2Br
_chemical_formula_sum   'Os2 Pt4 Br2'
_cell_volume   136.52
_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
  Os  Os0  2  0.0  0.0  0.93  1.0
  Pt  Pt1  2  0.0  0.0  0.27  1.0
  Pt  Pt2  2  0.0  0.0  0.3  1.0
  Br  Br3  2  0.0  0.0  0.71  1.0

Os Pt Pt Br