data_ZnSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   149.94
_cell_angle_beta   134.25
_cell_angle_gamma   55.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Pd
_chemical_formula_sum   'Zn1 Sn2 Pd1'
_cell_volume   84.07
_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  Zn3  1  0.0  0.0  0.9  1.0
  Sn  Sn1  1  0.0  0.0  0.54  1.0
  Sn  Sn2  1  0.6  0.0  0.82  1.0
  Pd  Pd0  1  0.0  0.4  0.59  1.0

data_ZnSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.8
_cell_length_c   6.18
_cell_angle_alpha   112.88
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Pd
_chemical_formula_sum   'Zn1 Sn2 Pd1'
_cell_volume   84.07
_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  Zn0  1  0.0  0.9  0.9  1.0
  Sn  Sn1  1  0.0  0.54  0.54  1.0
  Sn  Sn2  1  0.0  0.82  0.22  1.0
  Pd  Pd3  1  0.6  0.19  0.19  1.0

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