data_[Li4Hf4Sn8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8747]
_cell_length_b [17.3409]
_cell_length_c [14.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHfSn2Se5]
_chemical_formula_sum '[Li4 Hf4 Sn8 Se20]'
_cell_volume [943.5510]
_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  0.4289  0.4539  1.0
  Hf  Hf1  4  0.0000  0.2263  0.0275  1.0
  Sn  Sn2  4  0.0000  0.0954  0.6448  1.0
  Sn  Sn3  4  0.0000  0.1051  0.2663  1.0
  Se  Se4  4  0.0000  0.0780  0.0722  1.0
  Se  Se5  4  0.0000  0.2542  0.6683  1.0
  Se  Se6  4  0.0000  0.2838  0.4028  1.0
  Se  Se7  4  0.0000  0.3843  0.0085  1.0
  Se  Se8  4  0.0000  0.4847  0.2798  1.0
]