data_Co2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   132.14
_cell_angle_beta   132.14
_cell_angle_gamma   70.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2IrPd
_chemical_formula_sum   'Co2 Ir1 Pd1'
_cell_volume   52.62
_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  0.0  0.87  0.89  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.87  0.0  0.89  1.0
  Pd  Pd3  1  0.0  0.0  0.77  1.0

data_Co2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.6
_cell_angle_alpha   113.93
_cell_angle_beta   113.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2IrPd
_chemical_formula_sum   'Co2 Ir1 Pd1'
_cell_volume   52.62
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.02  0.89  0.02  1.0
  Pd  Pd2  1  0.77  0.77  0.77  1.0
  Ir  Ir3  1  0.89  0.02  0.02  1.0

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