# generated using pymatgen
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18977788
_cell_length_b   3.18977788
_cell_length_c   6.58797437
_cell_angle_alpha   75.99002501
_cell_angle_beta   75.99002501
_cell_angle_gamma   60.00000254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo1 S2'
_cell_volume   55.73589524
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  S  S1  1  0.24885100  0.24885100  0.25344700  1.0
  S  S2  1  0.75114900  0.75114900  0.74655300  1.0