data_BaOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.06
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsBr2
_chemical_formula_sum   'Ba1 Os1 Br2'
_cell_volume   112.06
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.52  0.0  0.79  1.0
  Br  Br1  1  0.43  0.03  0.88  1.0
  Br  Br2  1  0.62  0.03  0.7  1.0

data_BaOsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.96
_cell_length_c   5.89
_cell_angle_alpha   108.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsBr2
_chemical_formula_sum   'Ba1 Os1 Br2'
_cell_volume   112.06
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.48  0.21  1.0
  Br  Br2  1  0.97  0.38  0.3  1.0
  Br  Br3  1  0.97  0.57  0.12  1.0

Ba Os Br Br