data_[Hf2Ta4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9393]
_cell_length_b [3.5921]
_cell_length_c [5.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(TaSi)2]
_chemical_formula_sum '[Hf2 Ta4 Si4]'
_cell_volume [175.3653]
_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  0.0000  0.0000  1
  Ta  Ta1  4  0.1428  0.5000  0.5730  1
  Si  Si2  4  0.2146  0.5000  0.1189  1
]