data_OsPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.53
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb2Br
_chemical_formula_sum   'Os1 Pb2 Br1'
_cell_volume   100.2
_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  0.97  0.77  0.65  1.0
  Pb  Pb2  1  0.9  0.0  0.68  1.0
  Pb  Pb3  1  0.01  0.77  0.51  1.0
  Br  Br0  1  0.48  0.0  0.31  1.0

data_OsPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.5
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb2Br
_chemical_formula_sum   'Os1 Pb2 Br1'
_cell_volume   100.2
_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  Os0  1  0.03  0.35  0.23  1.0
  Pb  Pb1  1  0.1  0.32  0.0  1.0
  Pb  Pb2  1  0.99  0.49  0.23  1.0
  Br  Br3  1  0.52  0.69  0.0  1.0

Os Pb Pb Br