data_Zn2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   3.36
_cell_angle_alpha   106.62
_cell_angle_beta   106.62
_cell_angle_gamma   118.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BiPd
_chemical_formula_sum   'Zn2 Bi1 Pd1'
_cell_volume   79.68
_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  0.46  0.46  0.0  1.0
  Zn  Zn3  1  0.46  0.54  0.0  1.0
  Bi  Bi0  1  0.91  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Zn2BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.82
_cell_length_c   5.72
_cell_angle_alpha   114.6
_cell_angle_beta   106.62
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BiPd
_chemical_formula_sum   'Zn2 Bi1 Pd1'
_cell_volume   79.68
_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  0.46  0.46  0.92  1.0
  Zn  Zn1  1  0.54  0.54  0.99  1.0
  Bi  Bi2  1  -0.0  0.0  0.91  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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