data_[K1Co2Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Co  1.8800  1.3500  0.7683
  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 [5.1876]
_cell_length_b [6.5582]
_cell_length_c [5.2926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KCo2HgF8]
_chemical_formula_sum '[K1 Co2 Hg1 F8]'
_cell_volume [180.0148]
_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
  Co  Co1  2  0.5000  0.2499  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.2469  0.2297  0.2320  1.0
  F  F4  2  0.3173  0.0000  0.6668  1.0
  F  F5  2  0.3309  0.5000  0.6519  1.0
]