data_HfCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Ni
_chemical_formula_sum   'Hf1 Co2 Ni1'
_cell_volume   52.41
_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  Hf2  1  0.0  0.88  0.86  1.0
  Co  Co0  1  0.88  0.0  0.86  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.72  1.0

data_HfCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.57
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Ni
_chemical_formula_sum   'Hf1 Co2 Ni1'
_cell_volume   52.41
_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  0.01  0.88  0.01  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.14  0.0  0.01  1.0
  Ni  Ni3  1  0.28  0.0  0.28  1.0

Hf Co Co Ni