data_[Hf8Co12Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1802]
_cell_length_b [13.6706]
_cell_length_c [6.7846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hf2Co3Si4]
_chemical_formula_sum '[Hf8 Co12 Si16]'
_cell_volume [480.4576]
_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  0.0000  0.1055  0.5994  1.0
  Co  Co1  8  0.2500  0.2309  0.2500  1.0
  Co  Co2  4  0.0000  0.0000  0.0000  1.0
  Si  Si3  8  0.0000  0.1803  0.9792  1.0
  Si  Si4  8  0.2500  0.0620  0.2500  1.0
]