data_LaHfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   36.08
_cell_angle_beta   36.08
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfRh2
_chemical_formula_sum   'La1 Hf1 Rh2'
_cell_volume   87.3
_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  La1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.18  1.0
  Rh  Rh2  1  0.0  0.0  0.12  1.0
  Rh  Rh3  1  0.0  0.0  0.24  1.0

data_LaHfRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   4.06
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHfRh2
_chemical_formula_sum   'La2 Hf2 Rh4'
_cell_volume   174.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.82  1.0
  Rh  Rh2  2  0.0  0.0  0.76  1.0
  Rh  Rh3  2  0.0  0.0  0.88  1.0

La Hf Rh Rh
La Hf Rh Rh 0 2 o o o 1 2 o o o 1 3 o o o 