# generated using pymatgen
data_Th3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73654597
_cell_length_b   6.73654597
_cell_length_c   10.46556800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.28884487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Tl5
_chemical_formula_sum   'Th6 Tl10'
_cell_volume   464.05623140
_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
  Th  Th0  1  0.61441300  0.61441300  0.25000000  1.0
  Th  Th1  1  0.38558700  0.38558700  0.75000000  1.0
  Th  Th2  1  0.79353900  0.20646100  0.50000000  1.0
  Th  Th3  1  0.79353900  0.20646100  0.00000000  1.0
  Th  Th4  1  0.20646100  0.79353900  0.50000000  1.0
  Th  Th5  1  0.20646100  0.79353900  0.00000000  1.0
  Tl  Tl6  1  0.00520200  0.00520200  0.25000000  1.0
  Tl  Tl7  1  0.99479800  0.99479800  0.75000000  1.0
  Tl  Tl8  1  0.29942700  0.29942700  0.04534100  1.0
  Tl  Tl9  1  0.70057300  0.70057300  0.95465900  1.0
  Tl  Tl10  1  0.29942700  0.29942700  0.45465900  1.0
  Tl  Tl11  1  0.70057300  0.70057300  0.54534100  1.0
  Tl  Tl12  1  0.05623500  0.50085800  0.25000000  1.0
  Tl  Tl13  1  0.49914200  0.94376500  0.75000000  1.0
  Tl  Tl14  1  0.94376500  0.49914200  0.75000000  1.0
  Tl  Tl15  1  0.50085800  0.05623500  0.25000000  1.0