data_[Cs4Sr2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  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 [18.0152]
_cell_length_b [4.7763]
_cell_length_c [9.0675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sr(HgTe2)2]
_chemical_formula_sum '[Cs4 Sr2 Hg4 Te8]'
_cell_volume [739.7651]
_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  0.1292  0.0000  0.5618  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1629  0.5000  0.9776  1.0
  Te  Te3  4  0.0150  0.5000  0.7539  1.0
  Te  Te4  4  0.2048  0.0000  0.1742  1.0
]