data_[Li2La10Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.0131]
_cell_length_b [9.0131]
_cell_length_c [9.1193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LiLa5Se8]
_chemical_formula_sum '[Li2 La10 Se16]'
_cell_volume [740.8159]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.2500  1
  La  La1  8  0.1290  0.7523  0.8793  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.0712  0.8188  0.2041  1
  Se  Se4  8  0.0765  0.6790  0.5604  1
]