# generated using pymatgen
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18454084
_cell_length_b   3.18454207
_cell_length_c   21.67053472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00003054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo2 S4'
_cell_volume   190.32416776
_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  0.66666700  0.33333300  0.44786727  1.0
  Mo  Mo1  1  0.33333300  0.66666700  0.15018773  1.0
  S  S2  1  0.33333300  0.66666700  0.51940211  1.0
  S  S3  1  0.66666700  0.33333300  0.22177650  1.0
  S  S4  1  0.33333300  0.66666700  0.37627850  1.0
  S  S5  1  0.66666700  0.33333300  0.07865289  1.0