data_Co2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Pd
_chemical_formula_sum   'Co4 Pd2'
_cell_volume   77.39
_cell_formula_units_Z   2
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
  Co  Co0  1  0.0  0.0  0.54  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.42  0.27  1.0
  Co  Co3  1  0.1  0.21  0.81  1.0
  Pd  Pd4  1  0.0  0.42  0.81  1.0
  Pd  Pd5  1  0.1  0.21  0.27  1.0

data_Co2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Pd
_chemical_formula_sum   'Co4 Pd2'
_cell_volume   77.39
_cell_formula_units_Z   2
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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.54  1.0
  Co  Co2  1  0.0  0.42  0.27  1.0
  Co  Co3  1  0.1  0.21  0.81  1.0
  Pd  Pd4  1  0.0  0.42  0.81  1.0
  Pd  Pd5  1  0.1  0.21  0.27  1.0

Co Co Co Co Pd Pd
Co Co Co Co Pd Pd 0 5 o o o 0 3 o o o 1 3 o o - 2 5 o o o 3 4 o o o 