data_CrCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.67
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   34.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuRh2
_chemical_formula_sum   'Cr1 Cu1 Rh2'
_cell_volume   52.73
_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  0.89  0.0  0.3  1.0
  Rh  Rh2  1  0.22  0.0  0.13  1.0
  Rh  Rh3  1  0.57  0.0  0.46  1.0

data_CrCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.51
_cell_length_c   4.67
_cell_angle_alpha   99.88
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuRh2
_chemical_formula_sum   'Cr1 Cu1 Rh2'
_cell_volume   52.73
_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  0.0  0.11  0.7  1.0
  Rh  Rh2  1  0.0  0.43  0.54  1.0
  Rh  Rh3  1  0.0  0.78  0.87  1.0

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