data_ZrRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Rh
_chemical_formula_sum   'Zr1 Ru2 Rh1'
_cell_volume   62.86
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.41  0.1  0.47  1.0
  Ru  Ru2  1  0.41  0.9  0.47  1.0
  Rh  Rh0  1  0.83  0.0  0.0  1.0

data_ZrRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   106.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Rh
_chemical_formula_sum   'Zr1 Ru2 Rh1'
_cell_volume   62.86
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.47  0.41  0.9  1.0
  Ru  Ru2  1  0.47  0.41  0.1  1.0
  Rh  Rh3  1  0.0  0.83  0.0  1.0

Zr Ru Ru Rh
Zr Ru Ru Rh 0 3 - o o 1 2 o - o 