data_[Li3La12Sc9Se24]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1774]
_cell_length_b [8.1774]
_cell_length_c [20.1237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiLa4Sc3Se8]
_chemical_formula_sum '[Li3 La12 Sc9 Se24]'
_cell_volume [1165.3917]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  La  La1  9  0.0000  0.5000  0.0000  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  9  0.0000  0.5000  0.5000  1.0
  Se  Se4  18  0.0004  0.5002  0.2390  1.0
  Se  Se5  6  0.0000  0.0000  0.2393  1.0
]