data_Cr2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.59
_cell_angle_alpha   100.72
_cell_angle_beta   100.72
_cell_angle_gamma   115.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuRh
_chemical_formula_sum   'Cr2 Ru1 Rh1'
_cell_volume   52.56
_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
  Cr  Cr0  1  0.86  0.07  0.21  1.0
  Cr  Cr1  1  0.86  0.93  0.21  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.61  0.0  0.0  1.0

data_Cr2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   115.51
_cell_angle_beta   100.72
_cell_angle_gamma   100.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuRh
_chemical_formula_sum   'Cr2 Ru1 Rh1'
_cell_volume   52.56
_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
  Cr  Cr0  1  0.21  0.86  0.07  1.0
  Cr  Cr1  1  0.21  0.86  0.93  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.61  0.0  1.0

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