# generated using pymatgen
data_Ti4MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44282816
_cell_length_b   3.44282816
_cell_length_c   23.68238291
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4MnS8
_chemical_formula_sum   'Ti4 Mn1 S8'
_cell_volume   243.10098780
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.62673000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.37327000  1
  Ti  Ti2  1  0.00000000  0.00000000  0.12495300  1
  Ti  Ti3  1  0.00000000  0.00000000  0.87504700  1
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1
  S  S5  1  0.33333300  0.66666700  0.56147500  1
  S  S6  1  0.33333300  0.66666700  0.31533100  1
  S  S7  1  0.33333300  0.66666700  0.06524300  1
  S  S8  1  0.33333300  0.66666700  0.81513400  1
  S  S9  1  0.66666700  0.33333300  0.43852500  1
  S  S10  1  0.66666700  0.33333300  0.18486600  1
  S  S11  1  0.66666700  0.33333300  0.93475700  1
  S  S12  1  0.66666700  0.33333300  0.68466900  1
