data_[K4In4Hg4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  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 [12.9896]
_cell_length_b [4.8752]
_cell_length_c [13.3453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KInHgI2]
_chemical_formula_sum '[K4 In4 Hg4 I8]'
_cell_volume [844.4092]
_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  0.1317  0.5000  0.3676  1.0
  In  In1  4  0.1548  0.0000  0.8247  1.0
  Hg  Hg2  4  0.1258  0.5000  0.9809  1.0
  I  I3  4  0.0863  0.0000  0.1783  1.0
  I  I4  4  0.1459  0.5000  0.6323  1.0
]