# generated using pymatgen
data_Tl4AuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41988800
_cell_length_b   8.55067337
_cell_length_c   8.41988800
_cell_angle_alpha   119.49531133
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.49531133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4AuSe3
_chemical_formula_sum   'Tl8 Au2 Se6'
_cell_volume   435.10267272
_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  0.49851900  0.69594700  0.69742800  1.0
  Tl  Tl1  1  0.19742800  0.69594700  0.99851900  1.0
  Tl  Tl2  1  0.69742800  0.69594700  0.19742800  1.0
  Tl  Tl3  1  0.99851900  0.69594700  0.49851900  1.0
  Tl  Tl4  1  0.50148100  0.30405300  0.30257200  1.0
  Tl  Tl5  1  0.80257200  0.30405300  0.00148100  1.0
  Tl  Tl6  1  0.30257200  0.30405300  0.80257200  1.0
  Tl  Tl7  1  0.00148100  0.30405300  0.50148100  1.0
  Au  Au8  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au9  1  0.50000000  0.00000000  0.50000000  1.0
  Se  Se10  1  0.75000000  0.50000000  0.75000000  1.0
  Se  Se11  1  0.25000000  0.50000000  0.25000000  1.0
  Se  Se12  1  0.83887100  0.00000000  0.66112900  1.0
  Se  Se13  1  0.16112900  0.00000000  0.33887100  1.0
  Se  Se14  1  0.66112900  0.00000000  0.16112900  1.0
  Se  Se15  1  0.33887100  0.00000000  0.83887100  1.0