data_[Li1Sc1Se3O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0219]
_cell_length_b [6.0219]
_cell_length_c [4.8186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiScSe3O8]
_chemical_formula_sum '[Li1 Sc1 Se3 O8]'
_cell_volume [151.3308]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6705  1
  Sc  Sc1  1  0.6667  0.3333  0.7352  1
  Se  Se2  3  0.1715  0.3429  0.2462  1
  O  O3  3  0.0131  0.5066  0.0251  1
  O  O4  3  0.3300  0.1650  0.5076  1
  O  O5  1  0.0000  0.0000  0.0314  1
  O  O6  1  0.3333  0.6667  0.4781  1
]