data_[Rb13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.3681]
_cell_length_b [11.1804]
_cell_length_c [12.4919]
_cell_angle_alpha [64.6766]
_cell_angle_beta [79.9296]
_cell_angle_gamma [77.2288]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb13Hg2]
_chemical_formula_sum '[Rb13 Hg2]'
_cell_volume [1148.6039]
_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
[
  Rb  Rb0  2  0.0420  0.1830  0.3428  1.0
  Rb  Rb1  2  0.1647  0.6781  0.3556  1.0
  Rb  Rb2  2  0.2317  0.5773  0.0062  1.0
  Rb  Rb3  2  0.2879  0.3513  0.7438  1.0
  Rb  Rb4  2  0.4673  0.0844  0.1391  1.0
  Rb  Rb5  2  0.4887  0.7763  0.5717  1.0
  Rb  Rb6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1999  0.0525  0.6714  1.0
]