data_La2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoPd
_chemical_formula_sum   'La2 Mo1 Pd1'
_cell_volume   103.27
_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  0.63  1.0
  La  La1  1  0.36  0.0  0.91  1.0
  Mo  Mo2  1  0.0  0.0  0.82  1.0
  Pd  Pd3  1  0.36  0.0  0.63  1.0

data_La2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoPd
_chemical_formula_sum   'La2 Mo1 Pd1'
_cell_volume   103.27
_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  0.63  1.0
  La  La1  1  0.36  0.0  0.91  1.0
  Mo  Mo2  1  0.0  0.0  0.82  1.0
  Pd  Pd3  1  0.36  0.0  0.63  1.0

La La Mo Pd
La La Mo Pd 0 3 o o o 0 2 o o o 1 2 o o o 