data_ZnBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   26.18
_cell_angle_beta   26.18
_cell_angle_gamma   26.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2Pd
_chemical_formula_sum   'Zn1 Bi2 Pd1'
_cell_volume   97.14
_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  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.09  1.0
  Bi  Bi1  1  0.0  0.0  0.86  1.0
  Pd  Pd2  1  0.0  0.0  0.98  1.0

data_ZnBi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   3.75
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBi2Pd
_chemical_formula_sum   'Zn2 Bi4 Pd2'
_cell_volume   194.28
_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  0.0  1.0
  Bi  Bi1  2  -0.0  0.0  0.91  1.0
  Bi  Bi2  2  -0.0  0.0  0.14  1.0
  Pd  Pd3  2  -0.0  0.0  0.02  1.0

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