data_[K2Sc2Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8837]
_cell_length_b [7.4767]
_cell_length_c [7.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KScSn2F8]
_chemical_formula_sum '[K2 Sc2 Sn4 F16]'
_cell_volume [447.6741]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0062  0.5000  0.7608  1.0
  F  F3  8  0.0462  0.1866  0.8075  1.0
  F  F4  4  0.1690  0.5000  0.5496  1.0
  F  F5  4  0.2480  0.5000  0.9219  1.0
]