data_HfNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   154.21
_cell_angle_beta   154.21
_cell_angle_gamma   36.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2
_chemical_formula_sum   'Hf2 Ni4'
_cell_volume   88.99
_cell_formula_units_Z   2
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  0.74  0.69  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.74  0.0  0.54  1.0
  Ni  Ni3  1  0.74  0.0  0.84  1.0
  Ni  Ni4  1  0.0  0.0  0.23  1.0
  Ni  Ni5  1  0.0  0.0  0.53  1.0

data_HfNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   7.78
_cell_angle_alpha   102.9
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2
_chemical_formula_sum   'Hf2 Ni4'
_cell_volume   88.99
_cell_formula_units_Z   2
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  0.0  1.0
  Hf  Hf1  1  0.95  0.69  0.95  1.0
  Ni  Ni2  1  0.23  0.23  0.23  1.0
  Ni  Ni3  1  0.53  0.53  0.53  1.0
  Ni  Ni4  1  0.54  0.8  0.8  1.0
  Ni  Ni5  1  0.84  0.1  0.1  1.0

Hf Hf Ni Ni Ni Ni