data_CrIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrPd
_chemical_formula_sum   'Cr1 Ir1 Pd1'
_cell_volume   42.46
_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
  Cr  Cr0  1  0.0  0.0  0.32  1.0
  Ir  Ir1  1  0.12  0.22  0.57  1.0
  Pd  Pd2  1  0.0  0.45  0.85  1.0

data_CrIrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrPd
_chemical_formula_sum   'Cr1 Ir1 Pd1'
_cell_volume   42.46
_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
  Cr  Cr0  1  0.32  0.0  0.0  1.0
  Ir  Ir1  1  0.57  0.12  0.22  1.0
  Pd  Pd2  1  0.85  0.0  0.45  1.0

Cr Ir Pd
Cr Ir Pd 0 1 o o o 1 2 o o o 