data_[Li4Zr4Sn8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  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 [3.8900]
_cell_length_b [17.2581]
_cell_length_c [14.0638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiZrSn2Se5]
_chemical_formula_sum '[Li4 Zr4 Sn8 Se20]'
_cell_volume [944.1643]
_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  0.4309  0.4546  1
  Zr  Zr1  4  0.0000  0.2264  0.0261  1
  Sn  Sn2  4  0.0000  0.0945  0.6456  1
  Sn  Sn3  4  0.0000  0.1065  0.2660  1
  Se  Se4  4  0.0000  0.0763  0.0729  1
  Se  Se5  4  0.0000  0.2544  0.6696  1
  Se  Se6  4  0.0000  0.2847  0.3999  1
  Se  Se7  4  0.0000  0.3860  0.0092  1
  Se  Se8  4  0.0000  0.4856  0.2801  1
]