# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63202320
_cell_length_b   10.32033174
_cell_length_c   47.35357704
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2206.37321653
_cell_formula_units_Z   54
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  Ti1  1  0.810103  0.696419  0.295888  1
  Ti  Ti2  1  0.959602  0.996463  0.307630  1
  Ti  Ti3  1  0.118339  0.314837  0.322412  1
  Ti  Ti4  1  0.387728  0.852215  0.298405  1
  Ti  Ti5  1  0.539813  0.157359  0.315237  1
  Ti  Ti6  1  0.695488  0.469362  0.330472  1
  Ti  Ti7  1  0.277880  0.634296  0.335043  1
  Ti  Ti8  1  0.433897  0.946657  0.353101  1
  Ti  Ti9  1  0.591424  0.262001  0.369866  1
  Ti  Ti10  1  0.856669  0.792018  0.348151  1
  Ti  Ti11  1  0.013383  0.105791  0.361523  1
  Ti  Ti12  1  0.171718  0.422651  0.376690  1
  Ti  Ti13  1  0.748612  0.576512  0.384932  1
  Ti  Ti14  1  0.908862  0.897139  0.402707  1
  Ti  Ti15  1  0.065792  0.211207  0.417313  1
  Ti  Ti16  1  0.327780  0.734913  0.392802  1
  Ti  Ti17  1  0.485918  0.051361  0.409163  1
  Ti  Ti18  1  0.644539  0.368806  0.425369  1
  Ti  Ti19  1  0.222387  0.524605  0.433194  1
  Ti  Ti20  1  0.380644  0.841308  0.449302  1
  Ti  Ti21  1  0.538510  0.157243  0.464924  1
  Ti  Ti22  1  0.801209  0.682350  0.440804  1
  Ti  Ti23  1  0.960321  1.000755  0.458008  1
  Ti  Ti24  1  0.117088  0.314502  0.473362  1
  Ti  Ti25  1  0.696295  0.473015  0.481345  1
  Ti  Ti26  1  0.853258  0.787144  0.496968  1
  Ti  Ti27  1  0.011937  0.104684  0.513565  1
  Ti  Ti28  1  0.274573  0.629674  0.488803  1
  Ti  Ti29  1  0.433251  0.947214  0.505399  1
  Ti  Ti30  1  0.590214  0.261343  0.521022  1
  Ti  Ti31  1  0.169421  0.419856  0.529005  1
  Ti  Ti32  1  0.326189  0.733603  0.544359  1
  Ti  Ti33  1  0.485300  0.052008  0.561563  1
  Ti  Ti34  1  0.747999  0.577115  0.537443  1
  Ti  Ti35  1  0.905865  0.893050  0.553065  1
  Ti  Ti36  1  0.064122  0.209753  0.569174  1
  Ti  Ti37  1  0.641970  0.365552  0.576999  1
  Ti  Ti38  1  0.800592  0.682997  0.593205  1
  Ti  Ti39  1  0.958730  0.999445  0.609565  1
  Ti  Ti40  1  0.220717  0.523151  0.585054  1
  Ti  Ti41  1  0.377648  0.837219  0.599661  1
  Ti  Ti42  1  0.537898  0.157846  0.617435  1
  Ti  Ti43  1  0.114791  0.311707  0.625678  1
  Ti  Ti44  1  0.273126  0.628567  0.640844  1
  Ti  Ti45  1  0.429840  0.942340  0.654216  1
  Ti  Ti46  1  0.695085  0.472357  0.632501  1
  Ti  Ti47  1  0.852613  0.787701  0.649266  1
  Ti  Ti48  1  0.008630  0.100062  0.667325  1
  Ti  Ti49  1  0.591021  0.264997  0.671895  1
  Ti  Ti50  1  0.746696  0.576999  0.687130  1
  Ti  Ti51  1  0.898781  0.882143  0.703962  1
  Ti  Ti52  1  0.168170  0.419521  0.679955  1
  Ti  Ti53  1  0.326908  0.737895  0.694737  1
  Ti  Ti54  1  0.476406  0.037939  0.706479  1
