data_[Cs4Rb5Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [12.1279]
_cell_length_b [5.2345]
_cell_length_c [14.2150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs4Rb5Hg2]
_chemical_formula_sum '[Cs4 Rb5 Hg2]'
_cell_volume [894.8873]
_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  0.1751  0.5000  0.8091  1.0
  Cs  Cs1  2  0.1900  0.5000  0.4455  1.0
  Rb  Rb2  2  0.1599  0.0000  0.1384  1.0
  Rb  Rb3  2  0.4734  0.0000  0.6665  1.0
  Rb  Rb4  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg5  2  0.0533  0.0000  0.6112  1.0
]