data_[Ba12Pt2Rh4Cl6]
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 [C2/m]
_cell_length_a [7.8362]
_cell_length_b [13.5768]
_cell_length_c [8.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6PtRh2Cl3]
_chemical_formula_sum '[Ba12 Pt2 Rh4 Cl6]'
_cell_volume [841.2346]
_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  8  0.2440  0.8292  0.2197  1.0
  Ba  Ba1  4  0.2316  0.5000  0.2204  1.0
  Rh  Rh2  4  0.0000  0.3336  0.0000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1674  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]