data_FeCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   3.55
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   93.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuNi2
_chemical_formula_sum   'Fe1 Cu1 Ni2'
_cell_volume   45.14
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.86  0.0  0.54  1.0
  Ni  Ni2  1  0.19  0.77  0.26  1.0
  Ni  Ni3  1  0.04  0.77  0.82  1.0

data_FeCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   3.55
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   93.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuNi2
_chemical_formula_sum   'Fe1 Cu1 Ni2'
_cell_volume   45.14
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.86  0.0  0.54  1.0
  Ni  Ni2  1  0.04  0.77  0.82  1.0
  Ni  Ni3  1  0.19  0.77  0.26  1.0

Fe Cu Ni Ni
Fe Cu Ni Ni 0 3 o - - 0 2 o - o 1 2 + - o 1 3 + - o 