data_Zn2CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.52
_cell_angle_alpha   111.99
_cell_angle_beta   111.99
_cell_angle_gamma   31.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoPd
_chemical_formula_sum   'Zn2 Co1 Pd1'
_cell_volume   54.39
_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  0.89  0.0  0.32  1.0
  Zn  Zn3  1  0.18  0.0  0.77  1.0
  Co  Co0  1  0.78  0.0  0.44  1.0
  Pd  Pd1  1  0.93  0.0  0.72  1.0

data_Zn2CoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.52
_cell_length_c   4.99
_cell_angle_alpha   111.99
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoPd
_chemical_formula_sum   'Zn2 Co1 Pd1'
_cell_volume   54.39
_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  0.32  0.89  1.0
  Zn  Zn1  1  0.0  0.77  0.18  1.0
  Co  Co2  1  0.0  0.44  0.78  1.0
  Pd  Pd3  1  0.0  0.72  0.93  1.0

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