# generated using pymatgen
data_TiCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83306718
_cell_length_b   6.83409370
_cell_length_c   6.85083001
_cell_angle_alpha   59.91485162
_cell_angle_beta   59.90909777
_cell_angle_gamma   60.36506688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrS4
_chemical_formula_sum   'Ti2 Cr2 S8'
_cell_volume   226.53034165
_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  0.00005800  0.49994800  0.50000800  1.0
  Ti  Ti1  1  0.50012000  0.00006500  0.49990400  1.0
  Cr  Cr2  1  0.49999100  0.50000000  0.50000400  1.0
  Cr  Cr3  1  0.49994900  0.50010600  0.99978700  1.0
  S  S4  1  0.74674600  0.74669100  0.75325900  1.0
  S  S5  1  0.25325700  0.25323400  0.74672500  1.0
  S  S6  1  0.26283800  0.73937700  0.24890100  1.0
  S  S7  1  0.73939300  0.26287700  0.24890200  1.0
  S  S8  1  0.73720800  0.26052100  0.75116800  1.0
  S  S9  1  0.26040700  0.73727700  0.75121100  1.0
  S  S10  1  0.25328500  0.25325600  0.24676800  1.0
  S  S11  1  0.74674200  0.74665300  0.25335100  1.0