data_[Li6Y2Sc4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8187]
_cell_length_b [11.8127]
_cell_length_c [6.8327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Y(ScSe3)2]
_chemical_formula_sum '[Li6 Y2 Sc4 Se12]'
_cell_volume [518.9408]
_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  4  0.0000  0.1658  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3331  0.0000  1.0
  Se  Se4  8  0.2448  0.3270  0.7543  1.0
  Se  Se5  4  0.2365  0.5000  0.2473  1.0
]