data_CuNi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2Rh
_chemical_formula_sum   'Cu1 Ni2 Rh1'
_cell_volume   48.13
_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  0.64  1.0
  Ni  Ni1  1  0.0  0.82  0.82  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.82  0.0  0.82  1.0

data_CuNi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.46
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi2Rh
_chemical_formula_sum   'Cu1 Ni2 Rh1'
_cell_volume   48.13
_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  0.64  0.64  0.64  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.82  0.0  1.0
  Rh  Rh3  1  0.82  0.0  0.0  1.0

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