data_[Rb16Hg2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.2928]
_cell_length_b [6.0407]
_cell_length_c [9.1900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb8HgSb2]
_chemical_formula_sum '[Rb16 Hg2 Sb4]'
_cell_volume [1229.7442]
_cell_formula_units_Z [2]
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  4  0.0360  0.0000  0.7780  1.0
  Rb  Rb1  4  0.1068  0.5000  0.4682  1.0
  Rb  Rb2  4  0.1781  0.5000  0.9557  1.0
  Rb  Rb3  4  0.2131  0.0000  0.3200  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.1807  0.0000  0.6948  1.0
]