# generated using pymatgen
data_Tl(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90537219
_cell_length_b   9.90537219
_cell_length_c   4.51596800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl(MoSe)3
_chemical_formula_sum   'Tl2 Mo6 Se6'
_cell_volume   383.72763672
_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  0.75000000  1.0
  Tl  Tl1  1  0.66666700  0.33333300  0.25000000  1.0
  Mo  Mo2  1  0.97874200  0.83479800  0.75000000  1.0
  Mo  Mo3  1  0.85605600  0.02125800  0.75000000  1.0
  Mo  Mo4  1  0.16520200  0.14394400  0.75000000  1.0
  Mo  Mo5  1  0.02125800  0.16520200  0.25000000  1.0
  Mo  Mo6  1  0.14394400  0.97874200  0.25000000  1.0
  Mo  Mo7  1  0.83479800  0.85605600  0.25000000  1.0
  Se  Se8  1  0.28365500  0.95718000  0.75000000  1.0
  Se  Se9  1  0.67352500  0.71634500  0.75000000  1.0
  Se  Se10  1  0.04282000  0.32647500  0.75000000  1.0
  Se  Se11  1  0.71634500  0.04282000  0.25000000  1.0
  Se  Se12  1  0.32647500  0.28365500  0.25000000  1.0
  Se  Se13  1  0.95718000  0.67352500  0.25000000  1.0