# generated using pymatgen
data_TlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76555673
_cell_length_b   6.76555623
_cell_length_c   6.76555764
_cell_angle_alpha   105.88382926
_cell_angle_beta   105.88382935
_cell_angle_gamma   116.91219824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSe
_chemical_formula_sum   'Tl4 Se4'
_cell_volume   235.33777974
_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  0.25000000  0.25000000  -0.00000000  1.0
  Tl  Tl1  1  0.75000000  0.75000000  -0.00000000  1.0
  Tl  Tl2  1  0.75000000  0.25000000  0.50000000  1.0
  Tl  Tl3  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se4  1  0.67681738  0.17681738  0.85363477  1.0
  Se  Se5  1  0.17681738  0.32318262  0.50000000  1.0
  Se  Se6  1  0.82318262  0.67681738  0.50000000  1.0
  Se  Se7  1  0.32318262  0.82318262  0.14636523  1.0