# generated using pymatgen
data_TeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35741084
_cell_length_b   7.35741084
_cell_length_c   3.68568182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.07233802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeS3
_chemical_formula_sum   'Te2 S6'
_cell_volume   172.65591330
_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  0.33343325  0.66656675  0.75000000  1.0
  Te  Te1  1  0.66656675  0.33343325  0.25000000  1.0
  S  S2  1  0.18054487  0.36160368  0.25000000  1.0
  S  S3  1  0.63839632  0.81945513  0.25000000  1.0
  S  S4  1  0.18067152  0.81932848  0.25000000  1.0
  S  S5  1  0.81945513  0.63839632  0.75000000  1.0
  S  S6  1  0.36160368  0.18054487  0.75000000  1.0
  S  S7  1  0.81932848  0.18067152  0.75000000  1.0