# generated using pymatgen
data_Ti12CrS24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01759292
_cell_length_b   9.01765821
_cell_length_c   10.26334468
_cell_angle_alpha   112.31078374
_cell_angle_beta   112.38199556
_cell_angle_gamma   82.12994349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12CrS24
_chemical_formula_sum   'Ti12 Cr1 S24'
_cell_volume   713.91656425
_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  0.49499671  0.50678354  0.66698443  1.0
  Ti  Ti1  1  0.00101446  0.99688791  0.66350470  1.0
  Ti  Ti2  1  0.73480444  0.23618171  0.82262815  1.0
  Ti  Ti3  1  0.24725503  0.75220617  0.83184275  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.75274497  0.24779383  0.16815725  1.0
  Ti  Ti7  1  0.26519556  0.76381829  0.17737185  1.0
  Ti  Ti8  1  0.50500329  0.49321646  0.33301557  1.0
  Ti  Ti9  1  0.99898554  0.00311209  0.33649530  1.0
  Ti  Ti10  1  0.75308529  0.24808316  0.49933111  1.0
  Ti  Ti11  1  0.24691471  0.75191684  0.50066889  1.0
  Cr  Cr12  1  0.00000000  0.50000000  0.00000000  1.0
  S  S13  1  0.45860318  0.29741887  0.75210291  1.0
  S  S14  1  0.96217279  0.79881530  0.75323717  1.0
  S  S15  1  0.71216029  0.04252380  0.92004373  1.0
  S  S16  1  0.21007409  0.54756500  0.92262380  1.0
  S  S17  1  0.78973116  0.45264968  0.75141569  1.0
  S  S18  1  0.28578518  0.95422420  0.74630287  1.0
  S  S19  1  0.46624319  0.29628873  0.08677351  1.0
  S  S20  1  0.96621037  0.79224901  0.08600802  1.0
  S  S21  1  0.03378963  0.20775099  0.91399198  1.0
  S  S22  1  0.53375681  0.70371127  0.91322649  1.0
  S  S23  1  0.21026884  0.54735032  0.24858431  1.0
  S  S24  1  0.71421482  0.04577580  0.25369713  1.0
  S  S25  1  0.78992591  0.45243500  0.07737620  1.0
  S  S26  1  0.28783971  0.95747620  0.07995627  1.0
  S  S27  1  0.46601359  0.29815027  0.42223072  1.0
  S  S28  1  0.96201849  0.79605566  0.41947512  1.0
  S  S29  1  0.03782721  0.20118470  0.24676283  1.0
  S  S30  1  0.54139682  0.70258113  0.24789709  1.0
  S  S31  1  0.21171903  0.54698505  0.58636399  1.0
  S  S32  1  0.71105639  0.04364471  0.58215618  1.0
  S  S33  1  0.78828097  0.45301495  0.41363601  1.0
  S  S34  1  0.28894361  0.95635529  0.41784382  1.0
  S  S35  1  0.03798151  0.20394434  0.58052488  1.0
  S  S36  1  0.53398641  0.70184973  0.57776928  1.0