data_Zn2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   8.75
_cell_length_c   8.75
_cell_angle_alpha   20.97
_cell_angle_beta   20.97
_cell_angle_gamma   20.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbPd
_chemical_formula_sum   'Zn2 Sb1 Pd1'
_cell_volume   75.14
_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
  Zn  Zn2  1  0.0  0.0  0.96  1.0
  Zn  Zn3  1  0.0  0.0  0.71  1.0
  Sb  Sb1  1  0.0  0.0  0.83  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Zn2SbPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   3.18
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SbPd
_chemical_formula_sum   'Zn4 Sb2 Pd2'
_cell_volume   150.29
_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
  Zn  Zn0  2  0.0  0.0  0.04  1.0
  Zn  Zn1  2  0.0  0.0  0.29  1.0
  Sb  Sb2  2  0.0  0.0  0.17  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Zn Zn Sb Pd
Zn Zn Sb Pd 0 3 o o + 0 2 o o o 1 2 o o o 