data_Co2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   143.67
_cell_angle_beta   129.86
_cell_angle_gamma   63.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsPd
_chemical_formula_sum   'Co2 As1 Pd1'
_cell_volume   53.02
_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  0.0  0.08  0.99  1.0
  Co  Co2  1  0.0  0.0  0.01  1.0
  As  As0  1  0.0  0.0  0.35  1.0
  Pd  Pd3  1  0.0  0.08  0.17  1.0

data_Co2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.16
_cell_length_c   4.9
_cell_angle_alpha   115.07
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsPd
_chemical_formula_sum   'Co2 As1 Pd1'
_cell_volume   53.02
_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  0.01  0.09  0.09  1.0
  Co  Co1  1  0.99  0.99  0.99  1.0
  As  As2  1  0.65  0.65  0.65  1.0
  Pd  Pd3  1  0.83  0.91  0.91  1.0

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