data_[Cs2K4Sc2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3594]
_cell_length_b [6.8634]
_cell_length_c [11.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsK2ScF6]
_chemical_formula_sum '[Cs2 K4 Sc2 F12]'
_cell_volume [401.4869]
_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  2  0.5000  0.0000  0.0000  1.0
  K  K1  4  0.2807  0.5323  0.7749  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0777  0.6127  0.1923  1.0
  F  F4  4  0.2425  0.2302  0.6085  1.0
  F  F5  4  0.2989  0.6449  0.0228  1.0
]