data_OsPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   4.5
_cell_angle_alpha   98.09
_cell_angle_beta   98.09
_cell_angle_gamma   27.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdBr2
_chemical_formula_sum   'Os1 Pd1 Br2'
_cell_volume   86.74
_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  Os2  1  0.12  0.0  0.22  1.0
  Pd  Pd3  1  0.33  0.0  0.84  1.0
  Br  Br0  1  0.77  0.0  0.41  1.0
  Br  Br1  1  0.92  0.0  0.66  1.0

data_OsPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.5
_cell_length_c   6.54
_cell_angle_alpha   98.09
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdBr2
_chemical_formula_sum   'Os1 Pd1 Br2'
_cell_volume   86.74
_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  0.22  0.12  1.0
  Pd  Pd1  1  0.0  0.84  0.33  1.0
  Br  Br2  1  0.0  0.41  0.77  1.0
  Br  Br3  1  0.0  0.66  0.92  1.0

Os Pd Br Br