data_[K4Sr2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3628]
_cell_length_b [6.5746]
_cell_length_c [11.0337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrHgF6]
_chemical_formula_sum '[K4 Sr2 Hg2 F12]'
_cell_volume [379.8410]
_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  4  0.2325  0.0521  0.2489  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1393  0.2070  0.9420  1.0
  F  F4  4  0.2348  0.7019  0.9409  1.0
  F  F5  4  0.3558  0.0493  0.7460  1.0
]