data_La2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlRh
_chemical_formula_sum   'La2 Al1 Rh1'
_cell_volume   102.03
_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  0.48  0.0  0.21  1.0
  La  La2  1  0.48  0.0  0.75  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.98  1.0

data_La2AlRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2AlRh
_chemical_formula_sum   'La2 Al1 Rh1'
_cell_volume   102.12
_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
  La  La0  1  0.48  0.0  0.21  1.0
  La  La1  1  0.48  0.0  0.75  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.98  1.0

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