data_[Li2Ce1Sc1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  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 [4.0650]
_cell_length_b [5.0946]
_cell_length_c [7.4822]
_cell_angle_alpha [96.0636]
_cell_angle_beta [90.5490]
_cell_angle_gamma [94.9329]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CeScF8]
_chemical_formula_sum '[Li2 Ce1 Sc1 F8]'
_cell_volume [153.4881]
_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  0.4616  0.5394  0.1960  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1163  0.2387  0.7977  1.0
  F  F4  2  0.1365  0.2388  0.2412  1.0
  F  F5  2  0.3774  0.7520  0.9860  1.0
  F  F6  2  0.4381  0.7447  0.4433  1.0
]