data_CrRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   131.01
_cell_angle_beta   131.01
_cell_angle_gamma   71.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuRh2
_chemical_formula_sum   'Cr1 Ru1 Rh2'
_cell_volume   54.02
_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
  Ru  Ru3  1  0.0  0.91  0.86  1.0
  Rh  Rh1  1  0.91  0.0  0.86  1.0
  Rh  Rh2  1  0.0  0.0  0.72  1.0

data_CrRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.59
_cell_angle_alpha   114.5
_cell_angle_beta   114.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuRh2
_chemical_formula_sum   'Cr1 Ru1 Rh2'
_cell_volume   54.02
_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
  Ru  Ru1  1  0.04  0.91  0.04  1.0
  Rh  Rh2  1  0.14  0.0  0.04  1.0
  Rh  Rh3  1  0.28  0.0  0.28  1.0

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