# generated using pymatgen
data_BaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29410766
_cell_length_b   5.29410727
_cell_length_c   8.62833932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2
_chemical_formula_sum   'Ba2 Tl4'
_cell_volume   209.43211850
_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  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba1  1  -0.00000000  0.00000000  0.75000000  1.0
  Tl  Tl2  1  0.33333300  0.66666700  0.45373435  1.0
  Tl  Tl3  1  0.66666700  0.33333300  0.95373435  1.0
  Tl  Tl4  1  0.66666700  0.33333300  0.54626565  1.0
  Tl  Tl5  1  0.33333300  0.66666700  0.04626565  1.0