data_[Rb16Sn8Hg8Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.1553]
_cell_length_b [15.3525]
_cell_length_c [26.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Rb2SnHgTe4]
_chemical_formula_sum '[Rb16 Sn8 Hg8 Te32]'
_cell_volume [2899.8322]
_cell_formula_units_Z [8]
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
[
  Rb  Rb0  16  0.0000  0.0000  0.1856  1.0
  Sn  Sn1  8  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  8  0.0000  0.0000  0.0000  1.0
  Te  Te3  32  0.0130  0.1444  0.6926  1.0
]