data_[Ba18Pt6Rh3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8846]
_cell_length_b [7.8846]
_cell_length_c [22.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6Pt2RhCl]
_chemical_formula_sum '[Ba18 Pt6 Rh3 Cl3]'
_cell_volume [1217.9418]
_cell_formula_units_Z [3]
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  9  0.0069  0.3366  0.7464  1
  Ba  Ba1  9  0.0110  0.6952  0.5861  1
  Pt  Pt2  3  0.0000  0.0000  0.4941  1
  Rh  Rh3  3  0.0000  0.0000  0.6722  1
  Pt  Pt4  3  0.0000  0.0000  0.9954  1
  Cl  Cl5  3  0.0000  0.0000  0.1773  1
]