data_LaSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   51.62
_cell_angle_beta   51.62
_cell_angle_gamma   51.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbPd2
_chemical_formula_sum   'La1 Sb1 Pd2'
_cell_volume   84.64
_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  0.88  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.96  1.0
  Pd  Pd2  1  0.0  0.0  0.79  1.0

data_LaSbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.0
_cell_length_b   4.62
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   120.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSbPd2
_chemical_formula_sum   'La2 Sb2 Pd4'
_cell_volume   169.27
_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  0.88  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.0  0.0  0.96  1.0
  Pd  Pd3  2  0.0  0.0  0.79  1.0

La Sb Pd Pd
La Sb Pd Pd 0 3 o o o 0 2 o o o 1 2 o o - 