# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94717667
_cell_length_b   7.30788620
_cell_length_c   53.19147967
_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   Ti28
_cell_volume   1145.61849842
_cell_formula_units_Z   28
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  0.553488  0.239735  0.274697  1
  Ti  Ti2  1  0.553488  0.869195  0.253709  1
  Ti  Ti3  1  1.053488  0.527608  0.248125  1
  Ti  Ti4  1  1.053488  0.160236  0.229202  1
  Ti  Ti5  1  0.553488  0.031946  0.347463  1
  Ti  Ti6  1  0.553488  0.609080  0.294738  1
  Ti  Ti7  1  1.053488  0.321137  0.321355  1
  Ti  Ti8  1  1.053488  0.950160  0.300329  1
  Ti  Ti9  1  0.553488  0.772197  0.389043  1
  Ti  Ti10  1  0.553488  0.402244  0.368325  1
  Ti  Ti11  1  1.053488  0.113366  0.394546  1
  Ti  Ti12  1  1.053488  0.690840  0.341938  1
  Ti  Ti13  1  0.553488  0.564755  0.462392  1
  Ti  Ti14  1  0.553488  0.194720  0.441620  1
  Ti  Ti15  1  1.053488  0.853526  0.436123  1
  Ti  Ti16  1  1.053488  0.483491  0.415351  1
  Ti  Ti17  1  0.553488  0.357406  0.535805  1
  Ti  Ti18  1  0.553488  0.934880  0.483197  1
  Ti  Ti19  1  1.053488  0.646002  0.509418  1
  Ti  Ti20  1  1.053488  0.276049  0.488700  1
  Ti  Ti21  1  0.553488  0.098086  0.577414  1
  Ti  Ti22  1  0.553488  0.727109  0.556388  1
  Ti  Ti23  1  1.053488  0.439166  0.583005  1
  Ti  Ti24  1  1.053488  0.016300  0.530280  1
  Ti  Ti25  1  0.553488  0.888010  0.648541  1
  Ti  Ti26  1  0.553488  0.520638  0.629618  1
  Ti  Ti27  1  1.053488  0.179051  0.624033  1
  Ti  Ti28  1  1.053488  0.808511  0.603045  1
