# generated using pymatgen
data_BaTl(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.35336366
_cell_length_b   22.35336366
_cell_length_c   3.90991266
_cell_angle_alpha   85.05351147
_cell_angle_beta   85.05351147
_cell_angle_gamma   10.00690067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl(MoO3)2
_chemical_formula_sum   'Ba2 Tl2 Mo4 O12'
_cell_volume   338.21015670
_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  1  0.16895100  0.16895100  0.82622100  1.0
  Ba  Ba1  1  0.84105800  0.84105800  0.15249000  1.0
  Tl  Tl2  1  0.72809600  0.72809600  0.25075800  1.0
  Tl  Tl3  1  0.28089600  0.28089600  0.65534600  1.0
  Mo  Mo4  1  0.53469900  0.53469900  0.47321900  1.0
  Mo  Mo5  1  0.39666100  0.39666100  0.59969800  1.0
  Mo  Mo6  1  0.61561700  0.61561700  0.38072600  1.0
  Mo  Mo7  1  0.46332900  0.46332900  0.53807400  1.0
  O  O8  1  0.38729600  0.38729600  0.10876500  1.0
  O  O9  1  0.53642100  0.53642100  0.97149400  1.0
  O  O10  1  0.23457600  0.23457600  0.82773300  1.0
  O  O11  1  0.96348200  0.96348200  0.53798600  1.0
  O  O12  1  0.78089600  0.78089600  0.31586900  1.0
  O  O13  1  0.11398700  0.11398700  0.38276900  1.0
  O  O14  1  0.61446400  0.61446400  0.88210200  1.0
  O  O15  1  0.32888700  0.32888700  0.67709100  1.0
  O  O16  1  0.89319100  0.89319100  0.60196200  1.0
  O  O17  1  0.03661500  0.03661500  0.47113000  1.0
  O  O18  1  0.46320800  0.46320800  0.03817000  1.0
  O  O19  1  0.65996800  0.65996800  0.33717800  1.0