data_Co2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsPd
_chemical_formula_sum   'Co2 As1 Pd1'
_cell_volume   51.62
_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
  Co  Co1  1  0.97  0.0  0.36  1.0
  Co  Co2  1  0.97  0.0  0.96  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.16  1.0

data_Co2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsPd
_chemical_formula_sum   'Co2 As1 Pd1'
_cell_volume   51.62
_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
  Co  Co0  1  0.97  0.0  0.36  1.0
  Co  Co1  1  0.97  0.0  0.96  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.16  1.0

Co Co As Pd
Co Co As Pd 0 3 + o o 1 2 + o + 2 3 o o o 