# generated using pymatgen
data_TlIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77218102
_cell_length_b   6.77218102
_cell_length_c   5.56379316
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn3
_chemical_formula_sum   'Tl2 In6'
_cell_volume   220.98292927
_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
  Tl  Tl0  1  0.33333300  0.66666700  0.75000000  1.0
  Tl  Tl1  1  0.66666700  0.33333300  0.25000000  1.0
  In  In2  1  0.16376263  0.32752626  0.25000000  1.0
  In  In3  1  0.67247374  0.83623737  0.25000000  1.0
  In  In4  1  0.16376263  0.83623737  0.25000000  1.0
  In  In5  1  0.83623737  0.67247374  0.75000000  1.0
  In  In6  1  0.32752626  0.16376263  0.75000000  1.0
  In  In7  1  0.83623737  0.16376263  0.75000000  1.0