data_HfCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.27
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoNi2
_chemical_formula_sum   'Hf1 Co1 Ni2'
_cell_volume   53.27
_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
  Hf  Hf1  1  0.0  0.0  0.62  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.55  0.64  0.03  1.0
  Ni  Ni3  1  0.55  0.64  0.21  1.0

data_HfCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.27
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoNi2
_chemical_formula_sum   'Hf1 Co1 Ni2'
_cell_volume   53.27
_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
  Hf  Hf0  1  0.0  0.0  0.62  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.55  0.64  0.03  1.0
  Ni  Ni3  1  0.55  0.64  0.21  1.0

Hf Co Ni Ni
Hf Co Ni Ni 0 1 o o + 1 3 - - o 1 2 - - o 1 2 o - o 2 3 o o o 