data_[Ba8Tl1Rh1Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6711]
_cell_length_b [9.9772]
_cell_length_c [7.8390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8TlRhAu2]
_chemical_formula_sum '[Ba8 Tl1 Rh1 Au2]'
_cell_volume [599.8025]
_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  4  0.2179  0.2212  0.1727  1.0
  Ba  Ba1  2  0.2625  0.0000  0.6895  1.0
  Ba  Ba2  2  0.2823  0.5000  0.6632  1.0
  Tl  Tl3  1  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.5000  0.2447  0.5000  1.0
]