# generated using pymatgen
data_BaTl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06247500
_cell_length_b   5.06247500
_cell_length_c   7.20815601
_cell_angle_alpha   69.44153997
_cell_angle_beta   69.44153997
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl3Au
_chemical_formula_sum   'Ba1 Tl3 Au1'
_cell_volume   160.34443811
_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  1  0.00459700  0.00459700  0.99080600  1.0
  Tl  Tl1  1  0.74167900  0.24167900  0.51664300  1.0
  Tl  Tl2  1  0.24167900  0.74167900  0.51664300  1.0
  Tl  Tl3  1  0.39403200  0.39403200  0.21193600  1.0
  Au  Au4  1  0.61801300  0.61801300  0.76397400  1.0