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 [7.8760]
_cell_length_b [7.8760]
_cell_length_c [22.5782]
_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 [1212.9265]
_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  0.0032  0.3399  0.5869  1.0
  Ba  Ba1  9  0.0280  0.6776  0.0806  1.0
  Pt  Pt2  3  0.0000  0.0000  0.0044  1.0
  Rh  Rh3  3  0.0000  0.0000  0.3279  1.0
  Pt  Pt4  3  0.0000  0.0000  0.5057  1.0
  Cl  Cl5  3  0.0000  0.0000  0.8226  1.0
]