data_[Hf16Sb4As8]
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 [Cmcm]
_cell_length_a [3.8631]
_cell_length_b [12.3798]
_cell_length_c [12.6411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf4SbAs2]
_chemical_formula_sum '[Hf16 Sb4 As8]'
_cell_volume [604.5453]
_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  0.2339  0.6271  1
  Hf  Hf1  4  0.0000  0.0799  0.2500  1
  Hf  Hf2  4  0.0000  0.5000  0.0000  1
  Sb  Sb3  4  0.0000  0.4032  0.2500  1
  As  As4  8  0.0000  0.1373  0.0545  1
]