data_ZnCoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.61
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoPd2
_chemical_formula_sum   'Zn1 Co1 Pd2'
_cell_volume   55.8
_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  0.92  0.0  0.77  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.37  0.81  0.36  1.0
  Pd  Pd2  1  0.26  0.81  0.18  1.0

data_ZnCoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.61
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoPd2
_chemical_formula_sum   'Zn1 Co1 Pd2'
_cell_volume   55.8
_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  0.92  0.0  0.77  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.26  0.81  0.18  1.0
  Pd  Pd3  1  0.37  0.81  0.36  1.0

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