data_[Li1Sc2W1O6]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2949]
_cell_length_b [5.3398]
_cell_length_c [5.7134]
_cell_angle_alpha [62.2382]
_cell_angle_beta [63.1446]
_cell_angle_gamma [60.4020]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSc2WO6]
_chemical_formula_sum '[Li1 Sc2 W1 O6]'
_cell_volume [119.0205]
_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  0.8006  0.7956  0.6181  1
  Sc  Sc1  1  0.0243  0.0074  0.9453  1
  Sc  Sc2  1  0.5257  0.5294  0.4318  1
  W  W3  1  0.3219  0.3214  0.0381  1
  O  O4  1  0.1310  0.3977  0.7668  1
  O  O5  1  0.2309  0.9330  0.2374  1
  O  O6  1  0.4018  0.7140  0.7521  1
  O  O7  1  0.5827  0.2421  0.2319  1
  O  O8  1  0.7102  0.1275  0.7595  1
  O  O9  1  0.9324  0.5936  0.2343  1
]