data_[Cs8Hf4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2029]
_cell_length_b [22.9777]
_cell_length_c [16.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2HfInTe5]
_chemical_formula_sum '[Cs8 Hf4 In4 Te20]'
_cell_volume [1590.0482]
_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
[
  Cs  Cs0  4  0.0000  0.1346  0.3179  1.0
  Cs  Cs1  4  0.0000  0.1349  0.6948  1.0
  Hf  Hf2  4  0.0000  0.2066  0.0205  1.0
  In  In3  4  0.0000  0.4299  0.4260  1.0
  Te  Te4  4  0.0000  0.0722  0.0415  1.0
  Te  Te5  4  0.0000  0.3001  0.6384  1.0
  Te  Te6  4  0.0000  0.3056  0.3925  1.0
  Te  Te7  4  0.0000  0.3262  0.0072  1.0
  Te  Te8  4  0.0000  0.4935  0.2852  1.0
]