data_HfCrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   2.74
_cell_angle_alpha   91.1
_cell_angle_beta   91.1
_cell_angle_gamma   109.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrNi2
_chemical_formula_sum   'Hf1 Cr1 Ni2'
_cell_volume   53.44
_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  0.62  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.26  0.86  0.37  1.0
  Ni  Ni3  1  0.26  0.14  0.37  1.0

data_HfCrNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   109.87
_cell_angle_beta   91.1
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrNi2
_chemical_formula_sum   'Hf1 Cr1 Ni2'
_cell_volume   53.44
_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  0.62  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.37  0.26  0.14  1.0
  Ni  Ni3  1  0.37  0.26  0.86  1.0

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