data_CrCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.58
_cell_angle_alpha   102.17
_cell_angle_beta   102.17
_cell_angle_gamma   121.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Rh
_chemical_formula_sum   'Cr1 Cu2 Rh1'
_cell_volume   50.71
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.68  0.2  0.16  1.0
  Cu  Cu2  1  0.68  0.8  0.16  1.0
  Rh  Rh3  1  0.48  0.0  0.0  1.0

data_CrCu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.49
_cell_length_c   5.04
_cell_angle_alpha   114.82
_cell_angle_beta   102.17
_cell_angle_gamma   95.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Rh
_chemical_formula_sum   'Cr1 Cu2 Rh1'
_cell_volume   50.71
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.36  0.2  0.88  1.0
  Cu  Cu2  1  0.97  0.8  0.49  1.0
  Rh  Rh3  1  -0.0  0.0  0.48  1.0

Cr Cu Cu Rh
Cr Cu Cu Rh 0 2 - - o 1 3 o o o 1 2 o - o 2 3 o + o 