data_[Hf4Ge4Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0190]
_cell_length_b [16.5738]
_cell_length_c [11.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfGeTe4]
_chemical_formula_sum '[Hf4 Ge4 Te16]'
_cell_volume [739.9563]
_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  4  0.0000  0.3468  0.2720  1.0
  Ge  Ge1  4  0.0000  0.2288  0.4609  1.0
  Te  Te2  4  0.0000  0.0222  0.7411  1.0
  Te  Te3  4  0.0000  0.1035  0.9589  1.0
  Te  Te4  4  0.0000  0.2747  0.6983  1.0
  Te  Te5  4  0.0000  0.3783  0.0010  1.0
]