data_[Ba20Ag8Rh4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  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 [4.6560]
_cell_length_b [20.0955]
_cell_length_c [14.6338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Ag2RhF]
_chemical_formula_sum '[Ba20 Ag8 Rh4 F4]'
_cell_volume [1369.1934]
_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  0.0489  0.0066  1.0
  Ba  Ba1  4  0.0000  0.2940  0.6707  1.0
  Ba  Ba2  4  0.0000  0.3065  0.3810  1.0
  Ba  Ba3  4  0.0000  0.3496  0.0184  1.0
  Ba  Ba4  4  0.0000  0.4976  0.7668  1.0
  Ag  Ag5  4  0.0000  0.1153  0.6975  1.0
  Ag  Ag6  4  0.0000  0.1231  0.3320  1.0
  Rh  Rh7  4  0.0000  0.2008  0.0276  1.0
  F  F8  4  0.0000  0.4432  0.4234  1.0
]