# generated using pymatgen
data_Ti3MnS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88927940
_cell_length_b   6.88927854
_cell_length_c   6.88927947
_cell_angle_alpha   51.19626020
_cell_angle_beta   51.19626855
_cell_angle_gamma   51.19626672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3MnS6
_chemical_formula_sum   'Ti3 Mn1 S6'
_cell_volume   183.24938792
_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  0.00000000  1.0
  Ti  Ti1  1  0.33023730  0.33023730  0.33023730  1.0
  Ti  Ti2  1  0.66976270  0.66976270  0.66976270  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.50000000  1.0
  S  S4  1  0.91742976  0.58881786  0.25292280  1.0
  S  S5  1  0.58881786  0.25292280  0.91742976  1.0
  S  S6  1  0.25292280  0.91742976  0.58881786  1.0
  S  S7  1  0.74707720  0.08257024  0.41118214  1.0
  S  S8  1  0.41118214  0.74707720  0.08257024  1.0
  S  S9  1  0.08257024  0.41118214  0.74707720  1.0