data_[K12In4Hg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0262]
_cell_length_b [10.7278]
_cell_length_c [8.6657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3InHg]
_chemical_formula_sum '[K12 In4 Hg4]'
_cell_volume [940.6168]
_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  8  0.2065  0.1904  0.1811  1.0
  K  K1  4  0.0540  0.5000  0.2814  1.0
  In  In2  4  0.0692  0.0000  0.3964  1.0
  Hg  Hg3  4  0.2191  0.0000  0.8424  1.0
]