data_[Hf2Si4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7499]
_cell_length_b [4.8352]
_cell_length_c [6.6661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [HfSi2Ni]
_chemical_formula_sum '[Hf2 Si4 Ni2]'
_cell_volume [120.8673]
_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  2  0.0000  0.0963  0.6806  1
  Si  Si1  2  0.0000  0.4261  0.0390  1
  Si  Si2  2  0.5000  0.1297  0.9578  1
  Ni  Ni3  2  0.5000  0.3636  0.3226  1
]