data_[Li2La1Sc1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1022]
_cell_length_b [5.0894]
_cell_length_c [7.4828]
_cell_angle_alpha [96.3380]
_cell_angle_beta [90.8901]
_cell_angle_gamma [94.5564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaScF8]
_chemical_formula_sum '[Li2 La1 Sc1 F8]'
_cell_volume [154.7335]
_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  2  0.4635  0.5395  0.1944  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1164  0.2379  0.7995  1.0
  F  F4  2  0.1401  0.2396  0.2400  1.0
  F  F5  2  0.3736  0.7522  0.9856  1.0
  F  F6  2  0.4419  0.7439  0.4402  1.0
]