data_[Ba6Tl6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0505]
_cell_length_b [4.7058]
_cell_length_c [5.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Tl3Rh2]
_chemical_formula_sum '[Ba6 Tl6 Rh4]'
_cell_volume [519.8177]
_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  0.1636  0.0000  0.5730  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1434  0.5000  0.0668  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Rh  Rh4  4  0.2228  0.0000  0.0776  1.0
]