data_[K1Sn1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0561]
_cell_length_b [7.5935]
_cell_length_c [5.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSnHg2F8]
_chemical_formula_sum '[K1 Sn1 Hg2 F8]'
_cell_volume [215.8538]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.5000  0.2521  0.5000  1.0
  F  F3  4  0.1442  0.1925  0.7926  1.0
  F  F4  2  0.3265  0.0000  0.2293  1.0
  F  F5  2  0.4310  0.5000  0.2620  1.0
]