data_Cu2NiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54
_cell_length_b   4.31
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiIr
_chemical_formula_sum   'Cu2 Ni1 Ir1'
_cell_volume   49.98
_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
  Cu  Cu0  1  0.91  0.16  0.11  1.0
  Cu  Cu1  1  0.35  0.16  0.45  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.13  0.0  0.28  1.0

data_Cu2NiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.31
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiIr
_chemical_formula_sum   'Cu2 Ni1 Ir1'
_cell_volume   49.98
_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
  Cu  Cu0  1  0.35  0.16  0.45  1.0
  Cu  Cu1  1  0.91  0.16  0.11  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.13  0.0  0.28  1.0

Cu Cu Ni Ir