data_OsW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.56
_cell_angle_alpha   94.24
_cell_angle_beta   94.24
_cell_angle_gamma   32.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Br
_chemical_formula_sum   'Os1 W2 Br1'
_cell_volume   67.77
_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  0.56  0.0  0.62  1.0
  W  W2  1  0.75  0.0  0.39  1.0
  W  W3  1  0.11  0.0  0.07  1.0
  Br  Br0  1  0.8  0.0  0.29  1.0

data_OsW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.56
_cell_length_c   5.24
_cell_angle_alpha   94.24
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Br
_chemical_formula_sum   'Os1 W2 Br1'
_cell_volume   67.77
_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  0.0  0.62  0.56  1.0
  W  W1  1  0.0  0.07  0.11  1.0
  W  W2  1  0.0  0.39  0.75  1.0
  Br  Br3  1  0.0  0.29  0.8  1.0

Os W W Br