data_CuRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   148.45
_cell_angle_beta   124.13
_cell_angle_gamma   65.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRh2Cl
_chemical_formula_sum   'Cu1 Rh2 Cl1'
_cell_volume   58.65
_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  0.0  0.0  0.33  1.0
  Rh  Rh2  1  0.4  0.0  0.09  1.0
  Rh  Rh3  1  0.0  0.41  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.83
_cell_length_c   5.15
_cell_angle_alpha   117.93
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRh2Cl
_chemical_formula_sum   'Cu1 Rh2 Cl1'
_cell_volume   58.65
_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  0.67  0.67  0.67  1.0
  Rh  Rh1  1  0.31  0.91  0.31  1.0
  Rh  Rh2  1  0.76  0.17  0.17  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cu Rh Rh Cl
Cu Rh Rh Cl 0 3 o o o 1 2 o - - 1 2 o o o 1 3 o o o 2 3 o o o 