data_[Ba6Sb12Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6354]
_cell_length_b [4.3207]
_cell_length_c [10.6450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSb2Rh3]
_chemical_formula_sum '[Ba6 Sb12 Rh18]'
_cell_volume [778.3470]
_cell_formula_units_Z [6]
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  0.1612  0.0000  0.7065  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0300  0.5000  0.7694  1
  Sb  Sb3  4  0.1415  0.5000  0.4552  1
  Sb  Sb4  4  0.1940  0.0000  0.1247  1
  Rh  Rh5  4  0.0491  0.0000  0.3398  1
  Rh  Rh6  4  0.1261  0.5000  0.2090  1
  Rh  Rh7  4  0.1792  0.5000  0.9678  1
  Rh  Rh8  4  0.2147  0.0000  0.3925  1
  Rh  Rh9  2  0.0000  0.5000  0.5000  1
]