# generated using pymatgen
data_Mg(TiS2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14962693
_cell_length_b   9.15613519
_cell_length_c   10.27112563
_cell_angle_alpha   112.01536864
_cell_angle_beta   112.07411717
_cell_angle_gamma   80.80921977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(TiS2)12
_chemical_formula_sum   'Mg1 Ti12 S24'
_cell_volume   739.07123739
_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
  Mg  Mg0  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.49342074  0.50438089  0.66549241  1.0
  Ti  Ti2  1  0.99839528  0.99553510  0.66129494  1.0
  Ti  Ti3  1  0.73335215  0.23451250  0.82160686  1.0
  Ti  Ti4  1  0.24865464  0.75528454  0.83193346  1.0
  Ti  Ti5  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti7  1  0.75134536  0.24471546  0.16806654  1.0
  Ti  Ti8  1  0.26664785  0.76548750  0.17839314  1.0
  Ti  Ti9  1  0.50657926  0.49561911  0.33450759  1.0
  Ti  Ti10  1  0.00160472  0.00446490  0.33870506  1.0
  Ti  Ti11  1  0.74875855  0.24632936  0.49679818  1.0
  Ti  Ti12  1  0.25124145  0.75367064  0.50320182  1.0
  S  S13  1  0.46062988  0.30041165  0.75388655  1.0
  S  S14  1  0.96689462  0.80092810  0.75609273  1.0
  S  S15  1  0.71537147  0.04468861  0.92199868  1.0
  S  S16  1  0.21734315  0.55467235  0.92534155  1.0
  S  S17  1  0.78102297  0.44567041  0.74411972  1.0
  S  S18  1  0.28194447  0.95309837  0.74512286  1.0
  S  S19  1  0.46830728  0.30116971  0.08941700  1.0
  S  S20  1  0.97195783  0.80052276  0.09162204  1.0
  S  S21  1  0.02804217  0.19947724  0.90837796  1.0
  S  S22  1  0.53169272  0.69883029  0.91058300  1.0
  S  S23  1  0.21897703  0.55432959  0.25588028  1.0
  S  S24  1  0.71805553  0.04690163  0.25487714  1.0
  S  S25  1  0.78265685  0.44532765  0.07465845  1.0
  S  S26  1  0.28462853  0.95531139  0.07800132  1.0
  S  S27  1  0.46752756  0.30104898  0.42234304  1.0
  S  S28  1  0.96749499  0.79960258  0.42089081  1.0
  S  S29  1  0.03310538  0.19907190  0.24390727  1.0
  S  S30  1  0.53937012  0.69958835  0.24611345  1.0
  S  S31  1  0.21483225  0.55278721  0.58886425  1.0
  S  S32  1  0.71301247  0.04480776  0.58323546  1.0
  S  S33  1  0.78516775  0.44721279  0.41113575  1.0
  S  S34  1  0.28698753  0.95519224  0.41676454  1.0
  S  S35  1  0.03250501  0.20039742  0.57910919  1.0
  S  S36  1  0.53247244  0.69895102  0.57765696  1.0