# generated using pymatgen
data_TiMoS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27685500
_cell_length_b   6.15715500
_cell_length_c   8.74822668
_cell_angle_alpha   74.75831358
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoS3
_chemical_formula_sum   'Ti2 Mo2 S6'
_cell_volume   170.29664917
_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
  Ti  Ti0  1  0.25000000  0.73653000  0.00569900  1.0
  Ti  Ti1  1  0.75000000  0.26347000  0.99430100  1.0
  Mo  Mo2  1  0.25000000  0.88192800  0.62502400  1.0
  Mo  Mo3  1  0.75000000  0.11807200  0.37497600  1.0
  S  S4  1  0.25000000  0.02087000  0.17023100  1.0
  S  S5  1  0.75000000  0.97913000  0.82976900  1.0
  S  S6  1  0.25000000  0.49611500  0.82247300  1.0
  S  S7  1  0.75000000  0.50388500  0.17752700  1.0
  S  S8  1  0.25000000  0.27538500  0.51272300  1.0
  S  S9  1  0.75000000  0.72461500  0.48727700  1.0