data_ZnOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.51
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOsPd2
_chemical_formula_sum   'Zn1 Os1 Pd2'
_cell_volume   58.81
_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  0.62  1.0
  Os  Os0  1  0.0  0.25  0.96  1.0
  Pd  Pd1  1  0.36  0.0  0.26  1.0
  Pd  Pd2  1  0.36  0.25  0.37  1.0

data_ZnOsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.51
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOsPd2
_chemical_formula_sum   'Zn1 Os1 Pd2'
_cell_volume   58.81
_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  0.62  1.0
  Os  Os1  1  0.0  0.25  0.96  1.0
  Pd  Pd2  1  0.36  0.0  0.26  1.0
  Pd  Pd3  1  0.36  0.25  0.37  1.0

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