data_[Hf4Sb8As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3557]
_cell_length_b [5.3557]
_cell_length_c [14.2531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Hf2Sb4As]
_chemical_formula_sum '[Hf4 Sb8 As2]'
_cell_volume [408.8328]
_cell_formula_units_Z [2]
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  0.0000  0.3957  1
  Sb  Sb1  4  0.0000  0.0000  0.2003  1
  Sb  Sb2  4  0.0000  0.5000  0.0000  1
  As  As3  2  0.0000  0.0000  0.0000  1
]