data_CoRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   142.8
_cell_angle_beta   108.18
_cell_angle_gamma   83.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRhBr2
_chemical_formula_sum   'Co1 Rh1 Br2'
_cell_volume   63.64
_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
  Rh  Rh3  1  0.0  0.0  0.61  1.0
  Br  Br0  1  0.0  0.85  0.82  1.0
  Br  Br1  1  0.55  0.0  0.79  1.0

data_CoRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   71.82
_cell_angle_beta   71.4
_cell_angle_gamma   71.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRhBr2
_chemical_formula_sum   'Co1 Rh1 Br2'
_cell_volume   63.64
_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
  Rh  Rh1  1  0.61  0.0  0.39  1.0
  Br  Br2  1  0.25  0.55  0.21  1.0
  Br  Br3  1  0.82  0.0  0.03  1.0

Co Rh Br Br