data_[Cs1Sn1Hg2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9443]
_cell_length_b [7.9280]
_cell_length_c [10.0371]
_cell_angle_alpha [69.3464]
_cell_angle_beta [82.9286]
_cell_angle_gamma [89.7475]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn(HgBr4)2]
_chemical_formula_sum '[Cs1 Sn1 Hg2 Br8]'
_cell_volume [512.6813]
_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  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4462  0.0328  0.7054  1.0
  Br  Br3  2  0.1566  0.9693  0.2555  1.0
  Br  Br4  2  0.2480  0.2908  0.8399  1.0
  Br  Br5  2  0.2789  0.7678  0.9236  1.0
  Br  Br6  2  0.4768  0.2658  0.4505  1.0
]