# generated using pymatgen
data_Tl(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66215198
_cell_length_b   6.66215198
_cell_length_c   6.66215193
_cell_angle_alpha   88.98488101
_cell_angle_beta   88.98488101
_cell_angle_gamma   88.98487958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl(Mo3S4)2
_chemical_formula_sum   'Tl1 Mo6 S8'
_cell_volume   295.55714298
_cell_formula_units_Z   1
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  0.00000000  1.0
  Mo  Mo1  1  0.77068400  0.58718200  0.43673300  1.0
  Mo  Mo2  1  0.43673300  0.77068400  0.58718200  1.0
  Mo  Mo3  1  0.58718200  0.43673300  0.77068400  1.0
  Mo  Mo4  1  0.22931600  0.41281800  0.56326700  1.0
  Mo  Mo5  1  0.56326700  0.22931600  0.41281800  1.0
  Mo  Mo6  1  0.41281800  0.56326700  0.22931600  1.0
  S  S7  1  0.75289900  0.75289900  0.75289900  1.0
  S  S8  1  0.24710100  0.24710100  0.24710100  1.0
  S  S9  1  0.26733500  0.60689300  0.87581100  1.0
  S  S10  1  0.87581100  0.26733500  0.60689300  1.0
  S  S11  1  0.60689300  0.87581100  0.26733500  1.0
  S  S12  1  0.73266500  0.39310700  0.12418900  1.0
  S  S13  1  0.12418900  0.73266500  0.39310700  1.0
  S  S14  1  0.39310700  0.12418900  0.73266500  1.0