data_Cu2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.34
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RhCl
_chemical_formula_sum   'Cu2 Rh1 Cl1'
_cell_volume   56.56
_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  0.51  0.0  0.09  1.0
  Cu  Cu2  1  0.79  0.0  0.12  1.0
  Rh  Rh3  1  0.15  0.0  0.1  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Cu2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.34
_cell_length_c   4.9
_cell_angle_alpha   103.52
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RhCl
_chemical_formula_sum   'Cu2 Rh1 Cl1'
_cell_volume   56.56
_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  0.09  0.51  1.0
  Cu  Cu1  1  0.0  0.12  0.79  1.0
  Rh  Rh2  1  0.0  0.1  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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