data_CoOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   145.23
_cell_angle_beta   145.23
_cell_angle_gamma   49.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOsBr2
_chemical_formula_sum   'Co1 Os1 Br2'
_cell_volume   76.22
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.85  0.0  0.8  1.0
  Br  Br0  1  0.0  0.0  0.6  1.0
  Br  Br1  1  0.0  0.85  0.8  1.0

data_CoOsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   6.18
_cell_angle_alpha   107.38
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOsBr2
_chemical_formula_sum   'Co1 Os1 Br2'
_cell_volume   76.22
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.2  0.0  0.05  1.0
  Br  Br2  1  0.05  0.85  0.05  1.0
  Br  Br3  1  0.4  0.0  0.4  1.0

Co Os Br Br
Co Os Br Br 0 1 - o - 0 3 o - - 0 2 o o - 1 3 + - o 1 2 + o o 2 3 o - o 