data_[Hf16Ge4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1089]
_cell_length_b [3.7599]
_cell_length_c [7.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Ge2As]
_chemical_formula_sum '[Hf16 Ge4 As2]'
_cell_volume [457.7998]
_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  0.0115  0.0000  0.2438  1
  Hf  Hf1  4  0.0927  0.5000  0.5238  1
  Hf  Hf2  4  0.1665  0.5000  0.0207  1
  Hf  Hf3  4  0.2087  0.0000  0.3523  1
  Ge  Ge4  4  0.1760  0.0000  0.7509  1
  As  As5  2  0.0000  0.5000  0.0000  1
]