# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73456016
_cell_length_b   7.71613544
_cell_length_c   52.45692517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1916.38300848
_cell_formula_units_Z   48
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  0.497304  0.300661  0.260996  1
  Ti  Ti2  1  0.997304  0.721415  0.250572  1
  Ti  Ti3  1  0.497304  0.934080  0.245236  1
  Ti  Ti4  1  -0.002696  0.435635  0.285949  1
  Ti  Ti5  1  0.997304  0.082368  0.267182  1
  Ti  Ti6  1  0.497304  0.653674  0.280193  1
  Ti  Ti7  1  0.497305  0.369716  0.316528  1
  Ti  Ti8  1  0.997304  0.797074  0.304356  1
  Ti  Ti9  1  0.497304  1.014424  0.298216  1
  Ti  Ti10  1  -0.002696  0.510813  0.341233  1
  Ti  Ti11  1  -0.002696  0.152920  0.322845  1
  Ti  Ti12  1  0.497304  0.728217  0.335052  1
  Ti  Ti13  1  0.497304  0.442975  0.371977  1
  Ti  Ti14  1  -0.002696  0.867999  0.359889  1
  Ti  Ti15  1  0.497304  0.085426  0.353568  1
  Ti  Ti16  1  0.997304  0.582745  0.396878  1
  Ti  Ti17  1  0.997304  0.225613  0.378372  1
  Ti  Ti18  1  0.497305  0.800257  0.390555  1
  Ti  Ti19  1  0.497305  0.515018  0.427542  1
  Ti  Ti20  1  0.997304  0.940233  0.415421  1
  Ti  Ti21  1  0.497305  0.157756  0.409044  1
  Ti  Ti22  1  0.997303  0.654885  0.452444  1
  Ti  Ti23  1  0.997304  0.297559  0.433944  1
  Ti  Ti24  1  0.497305  0.872413  0.446070  1
  Ti  Ti25  1  0.497304  0.587093  0.483093  1
  Ti  Ti26  1  0.997304  1.012238  0.470967  1
  Ti  Ti27  1  0.497305  0.229766  0.464593  1
  Ti  Ti28  1  0.997304  0.726895  0.507993  1
  Ti  Ti29  1  0.997304  0.369633  0.489495  1
  Ti  Ti30  1  0.497304  0.944419  0.501616  1
  Ti  Ti31  1  0.497305  0.659038  0.538665  1
  Ti  Ti32  1  0.997303  0.084395  0.526482  1
  Ti  Ti33  1  0.497304  0.301907  0.520159  1
  Ti  Ti34  1  0.997304  0.799226  0.563469  1
  Ti  Ti35  1  0.997304  0.441676  0.545060  1
  Ti  Ti36  1  0.497304  1.016652  0.557149  1
  Ti  Ti37  1  0.497304  0.731732  0.594192  1
  Ti  Ti38  1  0.997304  0.156435  0.581985  1
  Ti  Ti39  1  0.497304  0.373838  0.575804  1
  Ti  Ti40  1  -0.002696  0.870228  0.618821  1
  Ti  Ti41  1  0.997303  0.514936  0.600509  1
  Ti  Ti42  1  0.497305  0.087577  0.612681  1
  Ti  Ti43  1  0.497304  0.802283  0.649855  1
  Ti  Ti44  1  -0.002696  0.230977  0.636844  1
  Ti  Ti45  1  0.497304  0.449017  0.631088  1
  Ti  Ti46  1  0.997304  0.950571  0.671801  1
  Ti  Ti47  1  -0.002695  0.583991  0.656041  1
  Ti  Ti48  1  0.497304  0.163237  0.666465  1
