data_[K2Mg1Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0417]
_cell_length_b [8.3844]
_cell_length_c [9.9082]
_cell_angle_alpha [77.0317]
_cell_angle_beta [82.0195]
_cell_angle_gamma [66.3937]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2MgHgI6]
_chemical_formula_sum '[K2 Mg1 Hg1 I6]'
_cell_volume [521.5798]
_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  0.5359  0.9971  0.4989  1.0
  K  K1  1  0.8595  0.1441  0.8885  1.0
  Mg  Mg2  1  0.3147  0.5292  0.6044  1.0
  Hg  Hg3  1  0.6922  0.5169  0.2636  1.0
  I  I4  1  0.0598  0.8605  0.6453  1.0
  I  I5  1  0.2788  0.4735  0.3456  1.0
  I  I6  1  0.3374  0.2319  0.7958  1.0
  I  I7  1  0.5946  0.8670  0.1626  1.0
  I  I8  1  0.7205  0.5157  0.5865  1.0
  I  I9  1  0.9448  0.1874  0.2239  1.0
]