data_Hf2Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   140.3
_cell_angle_beta   140.3
_cell_angle_gamma   57.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Si2Ni
_chemical_formula_sum   'Hf2 Si2 Ni1'
_cell_volume   97.42
_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  0.11  0.0  0.73  1.0
  Hf  Hf1  1  0.0  0.11  0.73  1.0
  Si  Si3  1  0.0  0.0  0.35  1.0
  Si  Si4  1  0.0  0.0  0.56  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Hf2Si2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   118.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2Si2Ni
_chemical_formula_sum   'Hf4 Si4 Ni2'
_cell_volume   194.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.44  0.62  1.0
  Si  Si1  2  0.06  0.5  0.56  1.0
  Si  Si2  2  0.35  0.0  0.35  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Hf Hf Si Si Ni