data_La4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45
_cell_length_b   10.45
_cell_length_c   10.45
_cell_angle_alpha   157.36
_cell_angle_beta   157.36
_cell_angle_gamma   32.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Pd
_chemical_formula_sum   'La4 Pd1'
_cell_volume   168.83
_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  0.05  0.0  0.02  1.0
  La  La1  1  0.0  0.0  0.48  1.0
  La  La2  1  0.0  0.0  0.6  1.0
  La  La3  1  0.0  0.05  0.02  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_La4Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Pd
_chemical_formula_sum   'La8 Pd2'
_cell_volume   337.65
_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  4  0.03  0.03  0.03  1.0
  La  La1  2  0.0  0.0  0.4  1.0
  La  La2  2  0.0  0.0  0.52  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

La La La La Pd
La La La La Pd 0 3 o o o 0 4 o o o 1 2 o o o 3 4 o o o 