# generated using pymatgen
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50517589
_cell_length_b   6.50517589
_cell_length_c   6.50517589
_cell_angle_alpha   128.85241671
_cell_angle_beta   128.85241671
_cell_angle_gamma   75.24815764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo2 S4'
_cell_volume   162.51394407
_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
  Mo  Mo0  1  0.75000000  0.25000000  0.50000000  1.0
  Mo  Mo1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.87500000  0.90660800  0.53160800  1.0
  S  S3  1  0.09339200  0.62500000  0.96839200  1.0
  S  S4  1  0.37500000  0.34339200  0.46839200  1.0
  S  S5  1  0.65660800  0.12500000  0.03160800  1.0