# generated using pymatgen
data_TiTc5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40725316
_cell_length_b   6.52354403
_cell_length_c   6.41953344
_cell_angle_alpha   92.77534289
_cell_angle_beta   93.04339979
_cell_angle_gamma   94.00421023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc5S8
_chemical_formula_sum   'Ti1 Tc5 S8'
_cell_volume   266.92491704
_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  0.40415649  0.21460491  0.54575514  1.0
  Tc  Tc1  1  0.44949277  0.59009050  0.76912752  1.0
  Tc  Tc2  1  0.77117492  0.45585299  0.59533151  1.0
  Tc  Tc3  1  0.59232760  0.76680058  0.44888351  1.0
  Tc  Tc4  1  0.55501786  0.41387952  0.23422859  1.0
  Tc  Tc5  1  0.23462664  0.54841124  0.41111309  1.0
  S  S6  1  0.77886933  0.78055192  0.77635125  1.0
  S  S7  1  0.21768522  0.22695448  0.21800650  1.0
  S  S8  1  0.27971277  0.86228466  0.61770398  1.0
  S  S9  1  0.60813063  0.28315928  0.87545218  1.0
  S  S10  1  0.87477981  0.62398297  0.27706923  1.0
  S  S11  1  0.72919923  0.13440432  0.38081971  1.0
  S  S12  1  0.38024498  0.72341908  0.12927277  1.0
  S  S13  1  0.12458075  0.37560254  0.72088702  1.0