# generated using pymatgen
data_Te2Mo2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40026040
_cell_length_b   3.40026040
_cell_length_c   38.64391700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Mo2SeS
_chemical_formula_sum   'Te4 Mo4 Se2 S2'
_cell_volume   386.93328755
_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
  Te  Te0  1  0.00000000  0.00000000  0.33033000  1.0
  Te  Te1  1  0.00000000  0.00000000  0.70599700  1.0
  Te  Te2  1  0.00000000  0.00000000  0.23330200  1.0
  Te  Te3  1  0.00000000  0.00000000  0.60903000  1.0
  Mo  Mo4  1  0.00000000  0.00000000  0.09389400  1.0
  Mo  Mo5  1  0.00000000  0.00000000  0.46967400  1.0
  Mo  Mo6  1  0.33333300  0.66666700  0.28182700  1.0
  Mo  Mo7  1  0.33333300  0.66666700  0.65754600  1.0
  Se  Se8  1  0.33333300  0.66666700  0.05120200  1.0
  Se  Se9  1  0.33333300  0.66666700  0.13660900  1.0
  S  S10  1  0.33333300  0.66666700  0.43084200  1.0
  S  S11  1  0.33333300  0.66666700  0.50849600  1.0