data_[Cs4Sn8Hg4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6966]
_cell_length_b [15.4772]
_cell_length_c [6.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSn2HgSe6]
_chemical_formula_sum '[Cs4 Sn8 Hg4 Se24]'
_cell_volume [1540.2273]
_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  0.0000  0.1291  0.2500  1
  Sn  Sn1  8  0.2196  0.4283  0.1542  1
  Hg  Hg2  4  0.0000  0.3176  0.7500  1
  Se  Se3  8  0.1080  0.0989  0.8045  1
  Se  Se4  8  0.1453  0.2837  0.9958  1
  Se  Se5  8  0.1540  0.4313  0.4790  1
]