data_Co2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   147.16
_cell_angle_beta   127.23
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2OsBr
_chemical_formula_sum   'Co2 Os1 Br1'
_cell_volume   55.61
_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  Co1  1  0.0  0.25  0.22  1.0
  Co  Co2  1  0.43  0.0  0.09  1.0
  Os  Os3  1  0.0  0.0  0.31  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Co2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.5
_cell_length_c   5.07
_cell_angle_alpha   116.38
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2OsBr
_chemical_formula_sum   'Co2 Os1 Br1'
_cell_volume   55.61
_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  0.09  0.66  1.0
  Co  Co1  1  0.75  0.96  0.96  1.0
  Os  Os2  1  0.0  0.31  0.31  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Co Co Os Br