data_[Ba6Tl2Rh2]
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/m]
_cell_length_a [8.9186]
_cell_length_b [4.7094]
_cell_length_c [10.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba3TlRh]
_chemical_formula_sum '[Ba6 Tl2 Rh2]'
_cell_volume [430.1655]
_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  2  0.0716  0.7500  0.3375  1.0
  Ba  Ba1  2  0.2692  0.7500  0.9395  1.0
  Ba  Ba2  2  0.3763  0.2500  0.6082  1.0
  Tl  Tl3  2  0.3525  0.2500  0.2141  1.0
  Rh  Rh4  2  0.1746  0.7500  0.6535  1.0
]