# generated using pymatgen
data_Ti22Nb2P8H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99632186
_cell_length_b   9.94705703
_cell_length_c   9.97900337
_cell_angle_alpha   90.08596333
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti22Nb2P8H
_chemical_formula_sum   'Ti22 Nb2 P8 H1'
_cell_volume   495.94292126
_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
  Ti  Ti0  1  0.28780637  0.58414831  0.89251155  1.0
  Ti  Ti1  1  0.28780637  0.41585169  0.10748845  1.0
  Ti  Ti2  1  0.22052589  0.10946738  0.58597212  1.0
  Ti  Ti3  1  0.22052589  0.89053262  0.41402788  1.0
  Ti  Ti4  1  0.71326108  0.91356001  0.60965951  1.0
  Ti  Ti5  1  0.71326108  0.08643999  0.39034049  1.0
  Ti  Ti6  1  0.97256944  0.02921630  0.86084065  1.0
  Ti  Ti7  1  0.97256944  0.97078370  0.13915935  1.0
  Ti  Ti8  1  0.47349534  0.64148963  0.52835633  1.0
  Ti  Ti9  1  0.47349534  0.35851037  0.47164367  1.0
  Ti  Ti10  1  0.03058162  0.47274842  0.63873079  1.0
  Ti  Ti11  1  0.03058162  0.52725158  0.36126921  1.0
  Ti  Ti12  1  0.53031417  0.85998941  0.97071300  1.0
  Ti  Ti13  1  0.53031417  0.14001059  0.02928700  1.0
  Ti  Ti14  1  0.26443209  0.28457714  0.81934069  1.0
  Ti  Ti15  1  0.26443209  0.71542286  0.18065931  1.0
  Ti  Ti16  1  0.76420452  0.68127175  0.78291675  1.0
  Ti  Ti17  1  0.76420452  0.31872825  0.21708325  1.0
  Ti  Ti18  1  0.74164484  0.21744737  0.68250225  1.0
  Ti  Ti19  1  0.74164484  0.78255263  0.31749775  1.0
  Ti  Ti20  1  0.23959246  0.81772447  0.71769917  1.0
  Ti  Ti21  1  0.23959246  0.18227553  0.28230083  1.0
  Nb  Nb22  1  0.78853943  0.39477264  0.91415398  1.0
  Nb  Nb23  1  0.78853943  0.60522736  0.08584602  1.0
  P  P24  1  0.46661553  0.04060165  0.79370228  1.0
  P  P25  1  0.46661553  0.95939835  0.20629772  1.0
  P  P26  1  0.96713596  0.70662542  0.53999914  1.0
  P  P27  1  0.96713596  0.29337458  0.46000086  1.0
  P  P28  1  0.53407337  0.46084642  0.70354517  1.0
  P  P29  1  0.53407337  0.53915358  0.29645483  1.0
  P  P30  1  0.03977468  0.79461999  0.95818764  1.0
  P  P31  1  0.03977468  0.20538001  0.04181236  1.0
  H  H32  1  0.96646535  0.00000000  0.50000000  1.0