data_[Hf4Co20B12]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4113]
_cell_length_b [10.6208]
_cell_length_c [10.1005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HfCo5B3]
_chemical_formula_sum '[Hf4 Co20 B12]'
_cell_volume [365.9421]
_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  0.1633  0.2500  1
  Co  Co1  8  0.0000  0.2065  0.5695  1
  Co  Co2  8  0.0000  0.4392  0.1440  1
  Co  Co3  4  0.0000  0.0000  0.0000  1
  B  B4  8  0.0000  0.3891  0.5558  1
  B  B5  4  0.0000  0.1344  0.7500  1
]