# generated using pymatgen
data_Tl3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72939029
_cell_length_b   6.72939029
_cell_length_c   6.72939029
_cell_angle_alpha   138.46029427
_cell_angle_beta   138.46029427
_cell_angle_gamma   60.19876296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Br
_chemical_formula_sum   'Tl3 Br1'
_cell_volume   132.61611017
_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
  Tl  Tl0  1  0.75000000  0.25000000  0.50000000  1.0
  Tl  Tl1  1  0.25000000  0.75000000  0.50000000  1.0
  Tl  Tl2  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br3  1  0.00000000  0.00000000  0.00000000  1.0