data_Zr2CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPd
_chemical_formula_sum   'Zr2 Co1 Pd1'
_cell_volume   69.25
_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
  Zr  Zr2  1  0.14  0.0  0.52  1.0
  Zr  Zr3  1  0.14  0.0  0.62  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.57  1.0

data_Zr2CoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPd
_chemical_formula_sum   'Zr2 Co1 Pd1'
_cell_volume   69.25
_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
  Zr  Zr0  1  0.14  0.0  0.52  1.0
  Zr  Zr1  1  0.14  0.0  0.62  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.57  1.0

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