data_CuRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   146.17
_cell_angle_beta   146.17
_cell_angle_gamma   48.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRhBr2
_chemical_formula_sum   'Cu1 Rh1 Br2'
_cell_volume   77.45
_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  Cu2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.84  0.0  0.87  1.0
  Br  Br0  1  0.0  0.0  0.75  1.0
  Br  Br1  1  0.0  0.84  0.87  1.0

data_CuRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.31
_cell_angle_alpha   106.92
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRhBr2
_chemical_formula_sum   'Cu1 Rh1 Br2'
_cell_volume   77.45
_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  Cu0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.13  0.0  0.96  1.0
  Br  Br2  1  0.25  0.0  0.25  1.0
  Br  Br3  1  0.96  0.84  0.96  1.0

Cu Rh Br Br