data_LaZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   19.78
_cell_angle_beta   19.78
_cell_angle_gamma   19.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Pd
_chemical_formula_sum   'La1 Zn2 Pd1'
_cell_volume   81.39
_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  0.72  1.0
  Zn  Zn2  1  0.0  0.0  0.29  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_LaZn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.21
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZn2Pd
_chemical_formula_sum   'La2 Zn4 Pd2'
_cell_volume   162.77
_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  0.28  1.0
  Zn  Zn1  2  -0.0  0.0  0.71  1.0
  Zn  Zn2  2  -0.0  0.0  0.85  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

La Zn Zn Pd
La Zn Zn Pd 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o + 1 2 o o o 2 3 o o o 