data_[Ba12Tl4Rh2]
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 [P2_1/c]
_cell_length_a [8.1711]
_cell_length_b [9.1365]
_cell_length_c [14.0112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Tl2Rh]
_chemical_formula_sum '[Ba12 Tl4 Rh2]'
_cell_volume [860.7494]
_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  0.1329  0.1672  0.4443  1.0
  Ba  Ba1  4  0.2782  0.7015  0.4426  1.0
  Ba  Ba2  4  0.3621  0.0242  0.2496  1.0
  Tl  Tl3  4  0.2180  0.1059  0.7532  1.0
  Rh  Rh4  2  0.5000  0.0000  0.5000  1.0
]