# generated using pymatgen
data_TeMo2SeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30794713
_cell_length_b   3.30794713
_cell_length_c   37.55735000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2SeS2
_chemical_formula_sum   'Te2 Mo4 Se2 S4'
_cell_volume   355.91211311
_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  0.70849700  1.0
  Te  Te1  1  0.33333300  0.66666700  0.60659000  1.0
  Mo  Mo2  1  0.33333300  0.66666700  0.09390700  1.0
  Mo  Mo3  1  0.33333300  0.66666700  0.46964100  1.0
  Mo  Mo4  1  0.66666700  0.33333300  0.28180100  1.0
  Mo  Mo5  1  0.66666700  0.33333300  0.65757300  1.0
  Se  Se6  1  0.66666700  0.33333300  0.04916800  1.0
  Se  Se7  1  0.66666700  0.33333300  0.13867800  1.0
  S  S8  1  0.33333300  0.66666700  0.32248500  1.0
  S  S9  1  0.66666700  0.33333300  0.42903300  1.0
  S  S10  1  0.66666700  0.33333300  0.51024800  1.0
  S  S11  1  0.33333300  0.66666700  0.24112700  1.0