data_[Ba32Rh10Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.0598]
_cell_length_b [9.0855]
_cell_length_c [14.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba16Rh5Cl3]
_chemical_formula_sum '[Ba32 Rh10 Cl6]'
_cell_volume [2188.4360]
_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  0.0776  0.2571  0.0942  1
  Ba  Ba1  4  0.2451  0.2690  0.8491  1
  Ba  Ba2  4  0.2675  0.2385  0.3403  1
  Ba  Ba3  4  0.4094  0.2484  0.5950  1
  Ba  Ba4  2  0.0082  0.5000  0.8528  1
  Ba  Ba5  2  0.1755  0.0000  0.5750  1
  Ba  Ba6  2  0.1801  0.5000  0.5966  1
  Ba  Ba7  2  0.3333  0.5000  0.0990  1
  Ba  Ba8  2  0.3433  0.0000  0.1039  1
  Ba  Ba9  2  0.4818  0.5000  0.8317  1
  Ba  Ba10  2  0.4918  0.0000  0.3427  1
  Ba  Ba11  2  0.4953  0.5000  0.3245  1
  Rh  Rh12  4  0.4197  0.2486  0.2131  1
  Rh  Rh13  2  0.1525  0.5000  0.9701  1
  Rh  Rh14  2  0.3298  0.5000  0.7159  1
  Rh  Rh15  2  0.3317  0.0000  0.4758  1
  Cl  Cl16  4  0.0841  0.2469  0.7154  1
  Cl  Cl17  2  0.1695  0.0000  0.2133  1
]