data_[K4Dy4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3554]
_cell_length_b [4.4372]
_cell_length_c [9.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KDyHgTe3]
_chemical_formula_sum '[K4 Dy4 Hg4 Te12]'
_cell_volume [857.6009]
_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  0.1399  0.0000  0.0682  1
  Dy  Dy1  4  0.1756  0.0000  0.5775  1
  Hg  Hg2  4  0.0299  0.5000  0.7208  1
  Te  Te3  4  0.1722  0.5000  0.3594  1
  Te  Te4  4  0.1754  0.5000  0.7982  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]