data_[Ba20Hg8H4Rh4]
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
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5203]
_cell_length_b [20.3701]
_cell_length_c [15.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Hg2HRh]
_chemical_formula_sum '[Ba20 Hg8 H4 Rh4]'
_cell_volume [1401.2560]
_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  0.0554  0.0241  1.0
  Ba  Ba1  4  0.0000  0.2852  0.6615  1.0
  Ba  Ba2  4  0.0000  0.3087  0.3805  1.0
  Ba  Ba3  4  0.0000  0.3524  0.0065  1.0
  Ba  Ba4  4  0.0000  0.4997  0.7846  1.0
  Hg  Hg5  4  0.0000  0.1105  0.6938  1.0
  Hg  Hg6  4  0.0000  0.1291  0.3143  1.0
  H  H7  4  0.0000  0.4400  0.4358  1.0
  Rh  Rh8  4  0.0000  0.2055  0.0227  1.0
]