data_[K4Tb4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5025]
_cell_length_b [16.0491]
_cell_length_c [11.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTbHgTe3]
_chemical_formula_sum '[K4 Tb4 Hg4 Te12]'
_cell_volume [854.6485]
_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  0.2406  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.4618  0.7500  1.0
  Te  Te3  8  0.0000  0.3686  0.5479  1.0
  Te  Te4  4  0.0000  0.0770  0.7500  1.0
]