# generated using pymatgen
data_Ba2Tl7Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31957000
_cell_length_b   10.77623400
_cell_length_c   22.48820600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl7Au
_chemical_formula_sum   'Ba8 Tl28 Au4'
_cell_volume   1289.13485950
_cell_formula_units_Z   4
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  1  0.25000000  0.75101500  0.45890500  1.0
  Ba  Ba1  1  0.75000000  0.24898500  0.54109500  1.0
  Ba  Ba2  1  0.75000000  0.25101500  0.04109500  1.0
  Ba  Ba3  1  0.25000000  0.74898500  0.95890500  1.0
  Ba  Ba4  1  0.25000000  0.99611500  0.78934400  1.0
  Ba  Ba5  1  0.75000000  0.00388500  0.21065600  1.0
  Ba  Ba6  1  0.75000000  0.49611500  0.71065600  1.0
  Ba  Ba7  1  0.25000000  0.50388500  0.28934400  1.0
  Tl  Tl8  1  0.25000000  0.47486000  0.10250600  1.0
  Tl  Tl9  1  0.75000000  0.52514000  0.89749400  1.0
  Tl  Tl10  1  0.75000000  0.97486000  0.39749400  1.0
  Tl  Tl11  1  0.25000000  0.02514000  0.60250600  1.0
  Tl  Tl12  1  0.75000000  0.64741100  0.20145300  1.0
  Tl  Tl13  1  0.25000000  0.35258900  0.79854700  1.0
  Tl  Tl14  1  0.25000000  0.14741100  0.29854700  1.0
  Tl  Tl15  1  0.75000000  0.85258900  0.70145300  1.0
  Tl  Tl16  1  0.75000000  0.60054000  0.05165600  1.0
  Tl  Tl17  1  0.25000000  0.39946000  0.94834400  1.0
  Tl  Tl18  1  0.25000000  0.10054000  0.44834400  1.0
  Tl  Tl19  1  0.75000000  0.89946000  0.55165600  1.0
  Tl  Tl20  1  0.25000000  0.84951400  0.29752700  1.0
  Tl  Tl21  1  0.75000000  0.15048600  0.70247300  1.0
  Tl  Tl22  1  0.75000000  0.34951400  0.20247300  1.0
  Tl  Tl23  1  0.25000000  0.65048600  0.79752700  1.0
  Tl  Tl24  1  0.25000000  0.46105000  0.59008900  1.0
  Tl  Tl25  1  0.75000000  0.53895000  0.40991100  1.0
  Tl  Tl26  1  0.75000000  0.96105000  0.90991100  1.0
  Tl  Tl27  1  0.25000000  0.03895000  0.09008900  1.0
  Tl  Tl28  1  0.75000000  0.60223200  0.55251900  1.0
  Tl  Tl29  1  0.25000000  0.39776800  0.44748100  1.0
  Tl  Tl30  1  0.25000000  0.10223200  0.94748100  1.0
  Tl  Tl31  1  0.75000000  0.89776800  0.05251900  1.0
  Tl  Tl32  1  0.25000000  0.73362600  0.64886500  1.0
  Tl  Tl33  1  0.75000000  0.26637400  0.35113500  1.0
  Tl  Tl34  1  0.75000000  0.23362600  0.85113500  1.0
  Tl  Tl35  1  0.25000000  0.76637400  0.14886500  1.0
  Au  Au36  1  0.25000000  0.25763200  0.67317600  1.0
  Au  Au37  1  0.75000000  0.74236800  0.32682400  1.0
  Au  Au38  1  0.75000000  0.75763200  0.82682400  1.0
  Au  Au39  1  0.25000000  0.24236800  0.17317600  1.0