data_[Li4La8Sn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [4.2287]
_cell_length_b [17.7412]
_cell_length_c [12.2217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2SnSe5]
_chemical_formula_sum '[Li4 La8 Sn4 Se20]'
_cell_volume [916.9093]
_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  0.4888  0.4863  1.0
  La  La1  4  0.0000  0.1097  0.6859  1.0
  La  La2  4  0.0000  0.1190  0.2988  1.0
  Sn  Sn3  4  0.0000  0.1955  0.0020  1.0
  Se  Se4  4  0.0000  0.0472  0.0664  1.0
  Se  Se5  4  0.0000  0.2838  0.6644  1.0
  Se  Se6  4  0.0000  0.2956  0.3373  1.0
  Se  Se7  4  0.0000  0.3605  0.9982  1.0
  Se  Se8  4  0.0000  0.4946  0.2847  1.0
]