data_[Li4Hf4Sn8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7199]
_cell_length_b [16.4615]
_cell_length_c [13.3897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHfSn2S5]
_chemical_formula_sum '[Li4 Hf4 Sn8 S20]'
_cell_volume [819.9104]
_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
[
  Li  Li0  4  0.0000  0.4348  0.4546  1.0
  Hf  Hf1  4  0.0000  0.2270  0.0257  1.0
  Sn  Sn2  4  0.0000  0.0922  0.6455  1.0
  Sn  Sn3  4  0.0000  0.1092  0.2673  1.0
  S  S4  4  0.0000  0.0786  0.0733  1.0
  S  S5  4  0.0000  0.2523  0.6656  1.0
  S  S6  4  0.0000  0.2872  0.4047  1.0
  S  S7  4  0.0000  0.3853  0.0105  1.0
  S  S8  4  0.0000  0.4867  0.2770  1.0
]