data_[Hf20Ge4As8]
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 [Cmcm]
_cell_length_a [5.4109]
_cell_length_b [10.8528]
_cell_length_c [11.7794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf5GeAs2]
_chemical_formula_sum '[Hf20 Ge4 As8]'
_cell_volume [691.7273]
_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  0.0533  0.1160  1
  Hf  Hf1  8  0.0000  0.3887  0.0728  1
  Hf  Hf2  4  0.0000  0.3624  0.7500  1
  Ge  Ge3  4  0.0000  0.2438  0.2500  1
  As  As4  8  0.0000  0.1922  0.5749  1
]