data_CoIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   150.32
_cell_angle_beta   128.91
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2Pd
_chemical_formula_sum   'Co1 Ir2 Pd1'
_cell_volume   56.89
_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  0.98  1.0
  Ir  Ir1  1  0.0  0.29  0.51  1.0
  Ir  Ir2  1  0.0  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.29  0.08  1.0

data_CoIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.57
_cell_length_c   5.3
_cell_angle_alpha   115.54
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2Pd
_chemical_formula_sum   'Co1 Ir2 Pd1'
_cell_volume   56.89
_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  0.02  0.02  0.02  1.0
  Ir  Ir1  1  0.49  0.77  0.77  1.0
  Ir  Ir2  1  0.81  0.81  0.81  1.0
  Pd  Pd3  1  0.92  0.21  0.21  1.0

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