# generated using pymatgen
data_TlPt2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46568822
_cell_length_b   7.46568868
_cell_length_c   6.01606239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Se3
_chemical_formula_sum   'Tl2 Pt4 Se6'
_cell_volume   290.39066971
_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  0.33333300  0.66666700  0.34511350  1.0
  Tl  Tl1  1  0.66666700  0.33333300  0.65488650  1.0
  Pt  Pt2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.50000000  -0.00000000  0.00000000  1.0
  Pt  Pt4  1  -0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.16943998  0.83056002  0.79135696  1.0
  Se  Se7  1  0.16943998  0.33888096  0.79135696  1.0
  Se  Se8  1  0.66111904  0.83056002  0.79135696  1.0
  Se  Se9  1  0.33888096  0.16943998  0.20864304  1.0
  Se  Se10  1  0.83056002  0.66111904  0.20864304  1.0
  Se  Se11  1  0.83056002  0.16943998  0.20864304  1.0