data_NaLa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Rh
_chemical_formula_sum   'Na1 La2 Rh1'
_cell_volume   125.68
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.49  0.0  0.51  1.0
  La  La1  1  0.49  0.0  0.14  1.0
  Rh  Rh3  1  0.0  0.0  0.82  1.0

data_NaLa2Rh
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.61
_cell_length_b   9.65
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   92.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   NaLa2Rh
_chemical_formula_sum   'Na1 La2 Rh1'
_cell_volume   125.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Na  Na0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.5  0.49  0.0  1.0
  La  La2  1  0.5  0.86  0.0  1.0
  Rh  Rh3  1  0.0  0.18  0.0  1.0

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