data_[Hf4Co4Si8]
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 [Pnma]
_cell_length_a [6.1333]
_cell_length_b [3.9643]
_cell_length_c [9.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfCoSi2]
_chemical_formula_sum '[Hf4 Co4 Si8]'
_cell_volume [229.7783]
_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  0.2087  0.2500  0.6802  1.0
  Co  Co1  4  0.1056  0.2500  0.3855  1.0
  Si  Si2  4  0.0286  0.7500  0.8464  1.0
  Si  Si3  4  0.2280  0.7500  0.4718  1.0
]