# generated using pymatgen
data_TlAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48623757
_cell_length_b   10.48623757
_cell_length_c   7.43070400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgSe2
_chemical_formula_sum   'Tl6 Ag6 Se12'
_cell_volume   707.61982265
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.25000000  1.0
  Tl  Tl1  1  0.00000000  0.00000000  0.75000000  1.0
  Tl  Tl2  1  0.33333300  0.66666700  0.25000000  1.0
  Tl  Tl3  1  0.33333300  0.66666700  0.75000000  1.0
  Tl  Tl4  1  0.66666700  0.33333300  0.75000000  1.0
  Tl  Tl5  1  0.66666700  0.33333300  0.25000000  1.0
  Ag  Ag6  1  0.29053600  0.29053600  0.75000000  1.0
  Ag  Ag7  1  0.00000000  0.29053600  0.25000000  1.0
  Ag  Ag8  1  0.70946400  0.70946400  0.25000000  1.0
  Ag  Ag9  1  0.00000000  0.70946400  0.75000000  1.0
  Ag  Ag10  1  0.70946400  0.00000000  0.75000000  1.0
  Ag  Ag11  1  0.29053600  0.00000000  0.25000000  1.0
  Se  Se12  1  0.40594200  0.20297100  0.50000000  1.0
  Se  Se13  1  0.79702900  0.59405800  0.50000000  1.0
  Se  Se14  1  0.79702900  0.20297100  0.50000000  1.0
  Se  Se15  1  0.59405800  0.79702900  0.50000000  1.0
  Se  Se16  1  0.20297100  0.40594200  0.50000000  1.0
  Se  Se17  1  0.20297100  0.79702900  0.50000000  1.0
  Se  Se18  1  0.40594200  0.20297100  0.00000000  1.0
  Se  Se19  1  0.79702900  0.59405800  0.00000000  1.0
  Se  Se20  1  0.20297100  0.79702900  0.00000000  1.0
  Se  Se21  1  0.59405800  0.79702900  0.00000000  1.0
  Se  Se22  1  0.20297100  0.40594200  0.00000000  1.0
  Se  Se23  1  0.79702900  0.20297100  0.00000000  1.0