data_LaRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   129.68
_cell_angle_beta   129.68
_cell_angle_gamma   73.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2Rh
_chemical_formula_sum   'La1 Ru2 Rh1'
_cell_volume   70.62
_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
  La  La0  1  0.11  0.0  0.98  1.0
  Ru  Ru2  1  0.0  0.11  0.98  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.97  1.0

data_LaRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.96
_cell_angle_alpha   115.16
_cell_angle_beta   115.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2Rh
_chemical_formula_sum   'La1 Ru2 Rh1'
_cell_volume   70.62
_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
  La  La0  1  0.02  0.0  0.13  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.13  0.11  0.13  1.0
  Rh  Rh3  1  0.03  0.0  0.03  1.0

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