# generated using pymatgen
data_Tl2Mo9Se11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51908381
_cell_length_b   13.51908381
_cell_length_c   13.51908327
_cell_angle_alpha   42.57571957
_cell_angle_beta   42.57571957
_cell_angle_gamma   42.57572069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Mo9Se11
_chemical_formula_sum   'Tl4 Mo18 Se22'
_cell_volume   1024.24870618
_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  0.82970700  0.82970700  0.82970700  1.0
  Tl  Tl1  1  0.17029300  0.17029300  0.17029300  1.0
  Tl  Tl2  1  0.26802300  0.26802300  0.26802300  1.0
  Tl  Tl3  1  0.73197700  0.73197700  0.73197700  1.0
  Mo  Mo4  1  0.86481600  0.04617500  0.18169600  1.0
  Mo  Mo5  1  0.04617500  0.18169600  0.86481600  1.0
  Mo  Mo6  1  0.18169600  0.86481600  0.04617500  1.0
  Mo  Mo7  1  0.13518400  0.95382500  0.81830400  1.0
  Mo  Mo8  1  0.95382500  0.81830400  0.13518400  1.0
  Mo  Mo9  1  0.81830400  0.13518400  0.95382500  1.0
  Mo  Mo10  1  0.39160700  0.25991500  0.56963400  1.0
  Mo  Mo11  1  0.25991500  0.56963400  0.39160700  1.0
  Mo  Mo12  1  0.56963400  0.39160700  0.25991500  1.0
  Mo  Mo13  1  0.60839300  0.74008500  0.43036600  1.0
  Mo  Mo14  1  0.74008500  0.43036600  0.60839300  1.0
  Mo  Mo15  1  0.43036600  0.60839300  0.74008500  1.0
  Mo  Mo16  1  0.30719500  0.47882900  0.62359100  1.0
  Mo  Mo17  1  0.47882900  0.62359100  0.30719500  1.0
  Mo  Mo18  1  0.62359100  0.30719500  0.47882900  1.0
  Mo  Mo19  1  0.69280600  0.52117100  0.37640900  1.0
  Mo  Mo20  1  0.52117100  0.37640900  0.69280600  1.0
  Mo  Mo21  1  0.37640900  0.69280600  0.52117100  1.0
  Se  Se22  1  0.65099600  0.00463800  0.26423400  1.0
  Se  Se23  1  0.00463800  0.26423400  0.65099600  1.0
  Se  Se24  1  0.26423400  0.65099600  0.00463800  1.0
  Se  Se25  1  0.34900400  0.99536200  0.73576600  1.0
  Se  Se26  1  0.99536200  0.73576600  0.34900400  1.0
  Se  Se27  1  0.73576600  0.34900400  0.99536200  1.0
  Se  Se28  1  0.70636400  0.08886100  0.44101200  1.0
  Se  Se29  1  0.08886100  0.44101200  0.70636400  1.0
  Se  Se30  1  0.44101200  0.70636400  0.08886100  1.0
  Se  Se31  1  0.29363600  0.91113900  0.55898800  1.0
  Se  Se32  1  0.91113900  0.55898800  0.29363600  1.0
  Se  Se33  1  0.55898800  0.29363600  0.91113900  1.0
  Se  Se34  1  0.44989900  0.16802100  0.78525600  1.0
  Se  Se35  1  0.16802100  0.78525600  0.44989900  1.0
  Se  Se36  1  0.78525600  0.44989900  0.16802100  1.0
  Se  Se37  1  0.55010100  0.83197900  0.21474400  1.0
  Se  Se38  1  0.83197900  0.21474400  0.55010100  1.0
  Se  Se39  1  0.21474400  0.55010100  0.83197900  1.0
  Se  Se40  1  0.08560400  0.08560400  0.08560400  1.0
  Se  Se41  1  0.91439600  0.91439600  0.91439600  1.0
  Se  Se42  1  0.35208400  0.35208400  0.35208400  1.0
  Se  Se43  1  0.64791600  0.64791600  0.64791600  1.0