# generated using pymatgen
data_TeMo2Se2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34336610
_cell_length_b   3.34336610
_cell_length_c   38.02326000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Se2S
_chemical_formula_sum   'Te2 Mo4 Se4 S2'
_cell_volume   368.08476353
_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  0.33333300  0.66666700  0.41973700  1.0
  Te  Te1  1  0.33333300  0.66666700  0.51949800  1.0
  Mo  Mo2  1  0.00000000  0.00000000  0.09392200  1.0
  Mo  Mo3  1  0.00000000  0.00000000  0.46961600  1.0
  Mo  Mo4  1  0.33333300  0.66666700  0.28179600  1.0
  Mo  Mo5  1  0.33333300  0.66666700  0.65759200  1.0
  Se  Se6  1  0.00000000  0.00000000  0.70145700  1.0
  Se  Se7  1  0.33333300  0.66666700  0.05004900  1.0
  Se  Se8  1  0.33333300  0.66666700  0.13780200  1.0
  Se  Se9  1  0.00000000  0.00000000  0.61370300  1.0
  S  S10  1  0.00000000  0.00000000  0.32163200  1.0
  S  S11  1  0.00000000  0.00000000  0.24194500  1.0