data_[Hf16B4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.1971]
_cell_length_b [8.1971]
_cell_length_c [7.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Hf4BAs]
_chemical_formula_sum '[Hf16 B4 As4]'
_cell_volume [496.3555]
_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  0.1904  0.7780  1
  Hf  Hf1  8  0.0000  0.2147  0.2233  1
  B  B2  4  0.0000  0.0000  0.0097  1
  As  As3  4  0.0000  0.0000  0.4878  1
]