[CIF]
data_MoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58136217
_cell_length_b   6.58136217
_cell_length_c   6.58136217
_cell_angle_alpha   28.02207331
_cell_angle_beta   28.02207331
_cell_angle_gamma   28.02207331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoS2
_chemical_formula_sum   'Mo1 S2'
_cell_volume   55.57608473
_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  18.95668927  1
  S  S1  1  -0.00000000  -0.00000000  14.20193634  1
  S  S2  1  0.00000000  -0.00000000  11.07336120  1
[/CIF]
