data_LaRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   136.35
_cell_angle_beta   123.01
_cell_angle_gamma   74.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRh2Cl
_chemical_formula_sum   'La1 Rh2 Cl1'
_cell_volume   81.25
_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  0.5  0.89  1.0
  Rh  Rh2  1  0.0  0.0  0.5  1.0
  Rh  Rh3  1  0.95  0.0  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.73  1.0

data_LaRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.0
_cell_length_c   5.24
_cell_angle_alpha   118.5
_cell_angle_beta   111.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRh2Cl
_chemical_formula_sum   'La1 Rh2 Cl1'
_cell_volume   81.25
_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  0.61  0.61  1.0
  Rh  Rh1  1  0.5  0.5  0.5  1.0
  Rh  Rh2  1  0.71  0.76  0.71  1.0
  Cl  Cl3  1  0.27  0.27  0.27  1.0

La Rh Rh Cl
La Rh Rh Cl 0 1 o + + 0 1 o o o 0 2 - + + 0 2 - o o 0 3 o o o 1 2 - o o 1 3 o o o 