data_[Ba20Hg8Rh4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5371]
_cell_length_b [20.3650]
_cell_length_c [15.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Hg2RhF]
_chemical_formula_sum '[Ba20 Hg8 Rh4 F4]'
_cell_volume [1407.4859]
_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
[
  Ba  Ba0  4  0.0000  0.0557  0.0229  1.0
  Ba  Ba1  4  0.0000  0.2845  0.6637  1.0
  Ba  Ba2  4  0.0000  0.3075  0.3817  1.0
  Ba  Ba3  4  0.0000  0.3525  0.0065  1.0
  Ba  Ba4  4  0.0000  0.4995  0.7819  1.0
  Hg  Hg5  4  0.0000  0.1091  0.6912  1.0
  Hg  Hg6  4  0.0000  0.1289  0.3158  1.0
  Rh  Rh7  4  0.0000  0.2069  0.0248  1.0
  F  F8  4  0.0000  0.4409  0.4355  1.0
]