data_La4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.5
_cell_length_b   12.5
_cell_length_c   12.5
_cell_angle_alpha   161.88
_cell_angle_beta   161.88
_cell_angle_gamma   25.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Pd3
_chemical_formula_sum   'La4 Pd3'
_cell_volume   188.84
_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  0.06  1.0
  La  La1  1  0.0  0.0  0.31  1.0
  La  La2  1  0.0  0.0  0.57  1.0
  La  La3  1  0.0  0.0  0.8  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.12  1.0
  Pd  Pd6  1  0.0  0.0  0.25  1.0

data_La4Pd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Pd3
_chemical_formula_sum   'La8 Pd6'
_cell_volume   377.68
_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  0.2  1.0
  La  La1  2  0.0  0.0  0.43  1.0
  La  La2  2  0.0  0.0  0.69  1.0
  La  La3  2  0.0  0.0  0.94  1.0
  Pd  Pd4  2  0.0  0.0  0.0  1.0
  Pd  Pd5  2  0.0  0.0  0.75  1.0
  Pd  Pd6  2  0.0  0.0  0.88  1.0

La La La La Pd Pd Pd