data_[Cs6In4Hg10Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7405]
_cell_length_b [5.7405]
_cell_length_c [32.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3In2Hg5Te2]
_chemical_formula_sum '[Cs6 In4 Hg10 Te4]'
_cell_volume [1076.2832]
_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  4  0.0000  0.0000  0.1952  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.3981  1
  Hg  Hg3  8  0.0000  0.5000  0.0824  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Te  Te5  4  0.0000  0.0000  0.3127  1
]