# generated using pymatgen
data_TlCu5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.92435900
_cell_length_b   12.92435900
_cell_length_c   3.94778800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu5Se3
_chemical_formula_sum   'Tl4 Cu20 Se12'
_cell_volume   659.43477907
_cell_formula_units_Z   4
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  0.10724500  0.10724500  0.00000000  1.0
  Tl  Tl1  1  0.60724500  0.39275500  0.50000000  1.0
  Tl  Tl2  1  0.39275500  0.60724500  0.50000000  1.0
  Tl  Tl3  1  0.89275500  0.89275500  0.00000000  1.0
  Cu  Cu4  1  0.18010100  0.81989900  0.00000000  1.0
  Cu  Cu5  1  0.31989900  0.31989900  0.50000000  1.0
  Cu  Cu6  1  0.68010100  0.68010100  0.50000000  1.0
  Cu  Cu7  1  0.81989900  0.18010100  0.00000000  1.0
  Cu  Cu8  1  0.42072500  0.21277100  0.00000000  1.0
  Cu  Cu9  1  0.71277100  0.07927500  0.50000000  1.0
  Cu  Cu10  1  0.28722900  0.92072500  0.50000000  1.0
  Cu  Cu11  1  0.57927500  0.78722900  0.00000000  1.0
  Cu  Cu12  1  0.07927500  0.71277100  0.50000000  1.0
  Cu  Cu13  1  0.92072500  0.28722900  0.50000000  1.0
  Cu  Cu14  1  0.21277100  0.42072500  0.00000000  1.0
  Cu  Cu15  1  0.78722900  0.57927500  0.00000000  1.0
  Cu  Cu16  1  0.39712400  0.01423000  0.00000000  1.0
  Cu  Cu17  1  0.51423000  0.10287600  0.50000000  1.0
  Cu  Cu18  1  0.48577000  0.89712400  0.50000000  1.0
  Cu  Cu19  1  0.60287600  0.98577000  0.00000000  1.0
  Cu  Cu20  1  0.10287600  0.51423000  0.50000000  1.0
  Cu  Cu21  1  0.89712400  0.48577000  0.50000000  1.0
  Cu  Cu22  1  0.01423000  0.39712400  0.00000000  1.0
  Cu  Cu23  1  0.98577000  0.60287600  0.00000000  1.0
  Se  Se24  1  0.39886800  0.39886800  0.00000000  1.0
  Se  Se25  1  0.89886800  0.10113200  0.50000000  1.0
  Se  Se26  1  0.10113200  0.89886800  0.50000000  1.0
  Se  Se27  1  0.60113200  0.60113200  0.00000000  1.0
  Se  Se28  1  0.17501600  0.61824400  0.00000000  1.0
  Se  Se29  1  0.11824400  0.32498400  0.50000000  1.0
  Se  Se30  1  0.88175600  0.67501600  0.50000000  1.0
  Se  Se31  1  0.82498400  0.38175600  0.00000000  1.0
  Se  Se32  1  0.32498400  0.11824400  0.50000000  1.0
  Se  Se33  1  0.67501600  0.88175600  0.50000000  1.0
  Se  Se34  1  0.61824400  0.17501600  0.00000000  1.0
  Se  Se35  1  0.38175600  0.82498400  0.00000000  1.0