data_[Cs4Cu4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  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 [14.8725]
_cell_length_b [4.6315]
_cell_length_c [10.7868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCuHgTe2]
_chemical_formula_sum '[Cs4 Cu4 Hg4 Te8]'
_cell_volume [730.9900]
_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
[
  Cs  Cs0  4  0.1642  0.5000  0.6804  1.0
  Cu  Cu1  4  0.1645  0.5000  0.0796  1.0
  Hg  Hg2  4  0.0281  0.0000  0.1914  1.0
  Te  Te3  4  0.1223  0.5000  0.3089  1.0
  Te  Te4  4  0.1486  0.0000  0.9544  1.0
]