data_[K2La1Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1295]
_cell_length_b [6.2462]
_cell_length_c [8.2971]
_cell_angle_alpha [85.7694]
_cell_angle_beta [89.4739]
_cell_angle_gamma [86.4276]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2LaHgF8]
_chemical_formula_sum '[K2 La1 Hg1 F8]'
_cell_volume [213.0096]
_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  2  0.4984  0.4987  0.2472  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0264  0.2374  0.2722  1.0
  F  F4  2  0.0417  0.1906  0.7728  1.0
  F  F5  2  0.4191  0.7916  0.9835  1.0
  F  F6  2  0.4982  0.2125  0.5248  1.0
]