data_[Cs3Sn2Hg2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1284]
_cell_length_b [5.1284]
_cell_length_c [20.4541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Sn2(HgSb2)2]
_chemical_formula_sum '[Cs3 Sn2 Hg2 Sb4]'
_cell_volume [465.8882]
_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  0.0000  0.0000  0.2795  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.3333  0.6667  0.4445  1.0
  Hg  Hg3  2  0.3333  0.6667  0.8589  1.0
  Sb  Sb4  2  0.3333  0.6667  0.1427  1.0
  Sb  Sb5  2  0.3333  0.6667  0.5884  1.0
]