data_Cu2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2OsBr
_chemical_formula_sum   'Cu2 Os1 Br1'
_cell_volume   62.23
_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
  Cu  Cu1  1  0.47  0.0  0.25  1.0
  Cu  Cu2  1  0.47  0.0  0.37  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_Cu2OsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.86
_cell_length_b   5.05
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2OsBr
_chemical_formula_sum   'Cu4 Os2 Br2'
_cell_volume   124.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.47  0.0  0.25  1.0
  Cu  Cu1  2  0.47  0.0  0.37  1.0
  Os  Os2  2  0.0  0.0  0.31  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Cu Cu Os Br