data_FeOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   3.45
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOsBr2
_chemical_formula_sum   'Fe1 Os1 Br2'
_cell_volume   98.43
_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
  Fe  Fe2  1  0.48  0.0  0.44  1.0
  Os  Os3  1  0.89  0.72  0.26  1.0
  Br  Br0  1  0.31  0.0  0.76  1.0
  Br  Br1  1  0.27  0.72  0.84  1.0

data_FeOsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.6
_cell_length_c   6.44
_cell_angle_alpha   105.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOsBr2
_chemical_formula_sum   'Fe1 Os1 Br2'
_cell_volume   98.43
_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
  Fe  Fe0  1  0.0  0.52  0.56  1.0
  Os  Os1  1  0.28  0.11  0.74  1.0
  Br  Br2  1  0.0  0.69  0.24  1.0
  Br  Br3  1  0.28  0.73  0.16  1.0

Fe Os Br Br