data_[Cs2Sn2Hg3S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9246]
_cell_length_b [8.1801]
_cell_length_c [9.6379]
_cell_angle_alpha [109.0426]
_cell_angle_beta [92.3732]
_cell_angle_gamma [108.2443]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2Sn2Hg3S8]
_chemical_formula_sum '[Cs2 Sn2 Hg3 S8]'
_cell_volume [483.8065]
_cell_formula_units_Z [1]
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  0.1075  0.4595  0.7447  1.0
  Sn  Sn1  2  0.2534  0.1537  0.2595  1.0
  Hg  Hg2  2  0.3310  0.0840  0.8862  1.0
  Hg  Hg3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.0809  0.8618  0.6640  1.0
  S  S5  2  0.2762  0.8574  0.1212  1.0
  S  S6  2  0.3413  0.3500  0.1137  1.0
  S  S7  2  0.4875  0.2877  0.4979  1.0
]