data_[Ba16Rh4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.9863]
_cell_length_b [9.3601]
_cell_length_c [7.6323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ba8Rh2O]
_chemical_formula_sum '[Ba16 Rh4 O2]'
_cell_volume [1041.2133]
_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  4  0.1116  0.9986  0.7300  1
  Ba  Ba1  4  0.1213  0.2279  0.3093  1
  Ba  Ba2  4  0.1309  0.4908  0.7683  1
  Ba  Ba3  4  0.1368  0.7292  0.2842  1
  Rh  Rh4  4  0.2441  0.4796  0.5095  1
  O  O5  2  0.0000  0.1479  0.5000  1
]