data_La2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaRh
_chemical_formula_sum   'La2 Ta1 Rh1'
_cell_volume   101.42
_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  0.0  0.0  0.7  1.0
  La  La1  1  0.66  0.66  0.87  1.0
  Ta  Ta3  1  0.66  0.66  0.36  1.0
  Rh  Rh2  1  0.0  0.0  0.08  1.0

data_La2TaRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TaRh
_chemical_formula_sum   'La4 Ta2 Rh2'
_cell_volume   202.84
_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  0.7  1.0
  La  La1  2  0.16  0.5  0.87  1.0
  Ta  Ta2  2  0.16  0.5  0.36  1.0
  Rh  Rh3  2  0.0  0.0  0.08  1.0

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