# generated using pymatgen
data_TeMoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36023846
_cell_length_b   3.36023846
_cell_length_c   23.86942000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMoS
_chemical_formula_sum   'Te2 Mo2 S2'
_cell_volume   233.40634324
_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  0.53062900  1.0
  Te  Te1  1  0.33333300  0.66666700  0.37218200  1.0
  Mo  Mo2  1  0.33333300  0.66666700  0.15045000  1.0
  Mo  Mo3  1  0.66666700  0.33333300  0.45144100  1.0
  S  S4  1  0.66666700  0.33333300  0.08705700  1.0
  S  S5  1  0.66666700  0.33333300  0.21384500  1.0