data_[Hf12Ga8Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0594]
_cell_length_b [3.8304]
_cell_length_c [10.4872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Hf3Ga2Si]
_chemical_formula_sum '[Hf12 Ga8 Si4]'
_cell_volume [444.2548]
_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  4  0.0425  0.2500  0.3831  1
  Hf  Hf1  4  0.1172  0.7500  0.9380  1
  Hf  Hf2  4  0.2185  0.2500  0.7099  1
  Ga  Ga3  4  0.0109  0.7500  0.1994  1
  Ga  Ga4  4  0.1907  0.7500  0.4885  1
  Si  Si5  4  0.1289  0.2500  0.1261  1
]