data_[Ca4Sn8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7886]
_cell_length_b [11.5395]
_cell_length_c [5.4954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaSn2F6]
_chemical_formula_sum '[Ca4 Sn8 F24]'
_cell_volume [603.3986]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.1212  0.7500  1.0
  Sn  Sn1  8  0.1749  0.3863  0.6093  1.0
  F  F2  8  0.1237  0.3056  0.9218  1.0
  F  F3  8  0.1373  0.1966  0.4934  1.0
  F  F4  8  0.1399  0.0422  0.1140  1.0
]