data_[Cs4Li2Sc2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.4715]
_cell_length_b [8.0355]
_cell_length_c [6.8998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2LiScF6]
_chemical_formula_sum '[Cs4 Li2 Sc2 F12]'
_cell_volume [358.7995]
_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
[
  Cs  Cs0  4  0.0000  0.2398  0.7827  1
  Li  Li1  2  0.0000  0.5000  0.3670  1
  Sc  Sc2  2  0.0000  0.0000  0.2842  1
  F  F3  4  0.0000  0.2576  0.2892  1
  F  F4  4  0.2132  0.0000  0.0713  1
  F  F5  4  0.2363  0.0000  0.4878  1
]