# generated using pymatgen
data_Tl(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96426319
_cell_length_b   6.96426319
_cell_length_c   6.96426370
_cell_angle_alpha   88.76341139
_cell_angle_beta   88.76341139
_cell_angle_gamma   88.76341940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl(Mo3Se4)2
_chemical_formula_sum   'Tl1 Mo6 Se8'
_cell_volume   337.54083413
_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  0.75676000  0.57920600  0.43776000  1.0
  Mo  Mo2  1  0.43776000  0.75676000  0.57920600  1.0
  Mo  Mo3  1  0.57920600  0.43776000  0.75676000  1.0
  Mo  Mo4  1  0.24324000  0.42079400  0.56224000  1.0
  Mo  Mo5  1  0.56224000  0.24324000  0.42079400  1.0
  Mo  Mo6  1  0.42079400  0.56224000  0.24324000  1.0
  Se  Se7  1  0.75274900  0.75274900  0.75274900  1.0
  Se  Se8  1  0.24725100  0.24725100  0.24725100  1.0
  Se  Se9  1  0.25945000  0.60958600  0.87869500  1.0
  Se  Se10  1  0.87869500  0.25945000  0.60958600  1.0
  Se  Se11  1  0.60958600  0.87869500  0.25945000  1.0
  Se  Se12  1  0.74055000  0.39041400  0.12130500  1.0
  Se  Se13  1  0.12130500  0.74055000  0.39041400  1.0
  Se  Se14  1  0.39041400  0.12130500  0.74055000  1.0