data_[Ba16Ag2Rh4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7885]
_cell_length_b [7.9598]
_cell_length_c [7.5711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8AgRh2]
_chemical_formula_sum '[Ba16 Ag2 Rh4]'
_cell_volume [1020.5606]
_cell_formula_units_Z [2]
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  8  0.1378  0.2444  0.8501  1.0
  Ba  Ba1  4  0.0787  0.5000  0.2780  1.0
  Ba  Ba2  4  0.1862  0.0000  0.3833  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh4  4  0.2283  0.5000  0.1919  1.0
]