# generated using pymatgen
data_Te2Mo2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39845580
_cell_length_b   3.39845580
_cell_length_c   38.64974200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Mo2SeS
_chemical_formula_sum   'Te4 Mo4 Se2 S2'
_cell_volume   386.58099535
_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  0.33020300  1.0
  Te  Te1  1  0.00000000  0.00000000  0.70596100  1.0
  Te  Te2  1  0.00000000  0.00000000  0.23335100  1.0
  Te  Te3  1  0.00000000  0.00000000  0.60909600  1.0
  Mo  Mo4  1  0.00000000  0.00000000  0.09394900  1.0
  Mo  Mo5  1  0.00000000  0.00000000  0.46965100  1.0
  Mo  Mo6  1  0.33333300  0.66666700  0.28179800  1.0
  Mo  Mo7  1  0.33333300  0.66666700  0.65752000  1.0
  Se  Se8  1  0.33333300  0.66666700  0.42707500  1.0
  Se  Se9  1  0.33333300  0.66666700  0.51225400  1.0
  S  S10  1  0.33333300  0.66666700  0.05506400  1.0
  S  S11  1  0.33333300  0.66666700  0.13282600  1.0