# generated using pymatgen
data_Tl5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59451600
_cell_length_b   8.59451600
_cell_length_c   12.81879100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Se3
_chemical_formula_sum   'Tl20 Se12'
_cell_volume   946.86903798
_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  0.64685300  0.34495900  0.59779300  1.0
  Tl  Tl1  1  0.14685300  0.15504100  0.90220700  1.0
  Tl  Tl2  1  0.84495900  0.85314700  0.59779300  1.0
  Tl  Tl3  1  0.15504100  0.14685300  0.59779300  1.0
  Tl  Tl4  1  0.50000000  0.00000000  0.25571600  1.0
  Tl  Tl5  1  0.00000000  0.50000000  0.24428400  1.0
  Tl  Tl6  1  0.00000000  0.50000000  0.74428400  1.0
  Tl  Tl7  1  0.50000000  0.00000000  0.75571600  1.0
  Tl  Tl8  1  0.35314700  0.65504100  0.59779300  1.0
  Tl  Tl9  1  0.34495900  0.64685300  0.90220700  1.0
  Tl  Tl10  1  0.65504100  0.35314700  0.90220700  1.0
  Tl  Tl11  1  0.85314700  0.84495900  0.90220700  1.0
  Tl  Tl12  1  0.34495900  0.35314700  0.40220700  1.0
  Tl  Tl13  1  0.65504100  0.64685300  0.40220700  1.0
  Tl  Tl14  1  0.35314700  0.34495900  0.09779300  1.0
  Tl  Tl15  1  0.85314700  0.15504100  0.40220700  1.0
  Tl  Tl16  1  0.14685300  0.84495900  0.40220700  1.0
  Tl  Tl17  1  0.15504100  0.85314700  0.09779300  1.0
  Tl  Tl18  1  0.84495900  0.14685300  0.09779300  1.0
  Tl  Tl19  1  0.64685300  0.65504100  0.09779300  1.0
  Se  Se20  1  0.50000000  0.00000000  0.50267700  1.0
  Se  Se21  1  0.00000000  0.50000000  0.99732300  1.0
  Se  Se22  1  0.00000000  0.50000000  0.49732300  1.0
  Se  Se23  1  0.50000000  0.00000000  0.00267700  1.0
  Se  Se24  1  0.34191900  0.34191900  0.75000000  1.0
  Se  Se25  1  0.15808100  0.84191900  0.75000000  1.0
  Se  Se26  1  0.84191900  0.15808100  0.75000000  1.0
  Se  Se27  1  0.65808100  0.65808100  0.75000000  1.0
  Se  Se28  1  0.15808100  0.15808100  0.25000000  1.0
  Se  Se29  1  0.34191900  0.65808100  0.25000000  1.0
  Se  Se30  1  0.65808100  0.34191900  0.25000000  1.0
  Se  Se31  1  0.84191900  0.84191900  0.25000000  1.0