data_ZnSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.85
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   43.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Pd
_chemical_formula_sum   'Zn1 Sn2 Pd1'
_cell_volume   83.43
_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  0.0  1.0
  Sn  Sn1  1  0.16  0.0  0.51  1.0
  Sn  Sn2  1  0.08  0.0  0.18  1.0
  Pd  Pd0  1  0.62  0.0  0.85  1.0

data_ZnSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.63
_cell_length_c   5.85
_cell_angle_alpha   102.43
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Pd
_chemical_formula_sum   'Zn1 Sn2 Pd1'
_cell_volume   83.43
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.84  0.49  1.0
  Sn  Sn2  1  0.0  0.92  0.82  1.0
  Pd  Pd3  1  0.0  0.38  0.15  1.0

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