data_Ni2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   3.61
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2IrPd
_chemical_formula_sum   'Ni2 Ir1 Pd1'
_cell_volume   51.76
_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
  Ni  Ni1  1  0.22  0.8  0.96  1.0
  Ni  Ni2  1  0.28  0.8  0.42  1.0
  Ir  Ir0  1  0.92  0.0  0.69  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Ni2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.61
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2IrPd
_chemical_formula_sum   'Ni2 Ir1 Pd1'
_cell_volume   51.76
_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
  Ni  Ni0  1  0.22  0.8  0.96  1.0
  Ni  Ni1  1  0.28  0.8  0.42  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.92  0.0  0.69  1.0

Ni Ni Ir Pd