data_[Cs2K2Hg4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1805]
_cell_length_b [5.4247]
_cell_length_c [15.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsKHg2Te]
_chemical_formula_sum '[Cs2 K2 Hg4 Te2]'
_cell_volume [432.5008]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.0000  0.0000  0.5658  1.0
  K  K1  2  0.0000  0.5000  0.2942  1.0
  Hg  Hg2  2  0.0000  0.0000  0.9539  1.0
  Hg  Hg3  2  0.0000  0.5000  0.8181  1.0
  Te  Te4  2  0.0000  0.0000  0.1558  1.0
]