data_[Ba6Tl2Pt1Rh1]
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
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.4746]
_cell_length_b [8.4919]
_cell_length_c [8.4988]
_cell_angle_alpha [118.4101]
_cell_angle_beta [91.2486]
_cell_angle_gamma [119.8304]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba6Tl2PtRh]
_chemical_formula_sum '[Ba6 Tl2 Pt1 Rh1]'
_cell_volume [439.0933]
_cell_formula_units_Z [1]
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  0.1982  0.4940  0.1963  1.0
  Ba  Ba1  2  0.2373  0.0852  0.3409  1.0
  Ba  Ba2  2  0.3057  0.0029  0.8116  1.0
  Tl  Tl3  2  0.2464  0.5093  0.7610  1.0
  Rh  Rh4  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt5  1  0.5000  0.0000  0.5000  1.0
]