# generated using pymatgen
data_LiTiCrSO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57103300
_cell_length_b   8.64731545
_cell_length_c   9.07821424
_cell_angle_alpha   62.64510410
_cell_angle_beta   63.08932169
_cell_angle_gamma   60.48393462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCrSO8
_chemical_formula_sum   'Li3 Ti3 Cr3 S3 O24'
_cell_volume   497.27315472
_cell_formula_units_Z   3
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
  Li  Li0  1  0.77546000  0.16729100  0.63798400  1
  Li  Li1  1  0.41203600  0.78309400  0.62581500  1
  Li  Li2  1  0.16379000  0.14596500  0.55880600  1
  Ti  Ti3  1  0.85039600  0.84946800  0.43267200  1
  Ti  Ti4  1  0.64343900  0.63799600  0.07212900  1
  Ti  Ti5  1  0.35389300  0.36203800  0.93195400  1
  Cr  Cr6  1  0.96673800  0.24946600  0.25516600  1
  Cr  Cr7  1  0.25545500  0.53369700  0.25913100  1
  Cr  Cr8  1  0.75271400  0.46730800  0.74140800  1
  S  S9  1  0.53772800  0.96323200  0.24651800  1
  S  S10  1  0.47224800  0.03259200  0.74927900  1
  S  S11  1  0.02999000  0.74616900  0.74711000  1
  O  O12  1  0.89816700  0.68888400  0.91785200  1
  O  O13  1  0.67874200  0.51548700  0.93595500  1
  O  O14  1  0.95692000  0.03052800  0.31055200  1
  O  O15  1  0.51256500  0.89111200  0.91328800  1
  O  O16  1  0.96688900  0.27228700  0.42527800  1
  O  O17  1  0.75269400  0.41693600  0.22277100  1
  O  O18  1  0.63400700  0.78227300  0.21022400  1
  O  O19  1  0.66995000  0.99140300  0.29008500  1
  O  O20  1  0.39682800  0.64449800  0.21584000  1
  O  O21  1  0.96453800  0.31583400  0.71428800  1
  O  O22  1  0.69490000  0.68750100  0.59088600  1
  O  O23  1  0.65775100  0.02692000  0.60792000  1
  O  O24  1  0.36640900  0.96235300  0.39359400  1
  O  O25  1  0.29610500  0.33118200  0.40226500  1
  O  O26  1  0.01862700  0.68789900  0.31026700  1
  O  O27  1  0.60089400  0.36454100  0.76877900  1
  O  O28  1  0.35365300  0.99498300  0.70349300  1
  O  O29  1  0.38256900  0.22055500  0.77100600  1
  O  O30  1  0.22970700  0.62332100  0.75632900  1
  O  O31  1  0.00515200  0.71444500  0.61147800  1
  O  O32  1  0.49896600  0.11675000  0.08654500  1
  O  O33  1  0.00831000  0.94115300  0.70007900  1
  O  O34  1  0.30786300  0.49406600  0.06072200  1
  O  O35  1  0.13620500  0.29747600  0.06333900  1
