data_[Hf8Si4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5296]
_cell_length_b [6.5296]
_cell_length_c [5.4329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Hf2SiH]
_chemical_formula_sum '[Hf8 Si4 H4]'
_cell_volume [231.6320]
_cell_formula_units_Z [4]
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  8  0.1637  0.3363  0.5000  1.0
  Si  Si1  4  0.0000  0.0000  0.2500  1.0
  H  H2  4  0.0000  0.5000  0.2500  1.0
]