data_[K4Ga4Hg4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2816]
_cell_length_b [8.4382]
_cell_length_c [8.3825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KGaHgI4]
_chemical_formula_sum '[K4 Ga4 Hg4 I16]'
_cell_volume [1367.4950]
_cell_formula_units_Z [4]
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  0.2200  0.5000  0.7587  1.0
  Ga  Ga1  4  0.1574  0.5000  0.2062  1.0
  Hg  Hg2  4  0.0234  0.0000  0.3152  1.0
  I  I3  8  0.1354  0.2538  0.0102  1.0
  I  I4  4  0.0757  0.5000  0.3888  1.0
  I  I5  4  0.2141  0.0000  0.6044  1.0
]