data_ZnInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.25
_cell_angle_alpha   102.27
_cell_angle_beta   102.27
_cell_angle_gamma   40.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInPd2
_chemical_formula_sum   'Zn1 In1 Pd2'
_cell_volume   67.45
_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
  In  In0  1  0.65  0.0  0.56  1.0
  Pd  Pd1  1  0.05  0.0  0.2  1.0
  Pd  Pd2  1  0.26  0.0  0.91  1.0

data_ZnInPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.52
_cell_length_c   5.25
_cell_angle_alpha   102.27
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInPd2
_chemical_formula_sum   'Zn1 In1 Pd2'
_cell_volume   67.45
_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
  In  In1  1  0.0  0.35  0.44  1.0
  Pd  Pd2  1  0.0  0.74  0.09  1.0
  Pd  Pd3  1  0.0  0.95  0.8  1.0

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