data_[K4Tl12In4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4291]
_cell_length_b [12.4994]
_cell_length_c [11.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTl3InHg]
_chemical_formula_sum '[K4 Tl12 In4 Hg4]'
_cell_volume [768.5082]
_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  0.0000  0.1852  0.2500  1.0
  Tl  Tl1  8  0.0000  0.3408  0.5279  1.0
  Tl  Tl2  4  0.0000  0.1278  0.7500  1.0
  In  In3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4901  0.2500  1.0
]