data_[Rb12Hg20Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [14.0234]
_cell_length_b [14.8620]
_cell_length_c [7.5604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb3Hg5Te2]
_chemical_formula_sum '[Rb12 Hg20 Te8]'
_cell_volume [1575.6988]
_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
[
  Rb  Rb0  8  0.2310  0.3722  0.0000  1.0
  Rb  Rb1  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg2  8  0.0000  0.2539  0.2500  1.0
  Hg  Hg3  8  0.1174  0.3781  0.5000  1.0
  Hg  Hg4  4  0.0000  0.5000  0.2500  1.0
  Te  Te5  8  0.1737  0.1298  0.0000  1.0
]