data_[Hf4Co4Si12]
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 [Cmmm]
_cell_length_a [3.8548]
_cell_length_b [20.5056]
_cell_length_c [3.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [HfCoSi3]
_chemical_formula_sum '[Hf4 Co4 Si12]'
_cell_volume [297.0380]
_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  0.0000  0.1720  0.0000  1.0
  Co  Co1  4  0.0000  0.3862  0.5000  1.0
  Si  Si2  4  0.0000  0.0579  0.5000  1.0
  Si  Si3  4  0.0000  0.2814  0.5000  1.0
  Si  Si4  4  0.0000  0.4427  0.0000  1.0
]