# generated using pymatgen
data_Ta6Ti18P8H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02728900
_cell_length_b   9.94818841
_cell_length_c   9.95592762
_cell_angle_alpha   89.97815467
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Ti18P8H
_chemical_formula_sum   'Ta6 Ti18 P8 H1'
_cell_volume   497.91997966
_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
  Ta  Ta0  1  0.78696841  0.39405526  0.91408582  1.0
  Ta  Ta1  1  0.78696841  0.60594474  0.08591418  1.0
  Ta  Ta2  1  0.28668060  0.58634399  0.89453882  1.0
  Ta  Ta3  1  0.28668060  0.41365601  0.10546118  1.0
  Ta  Ta4  1  0.22551320  0.10875808  0.58727614  1.0
  Ta  Ta5  1  0.22551320  0.89124192  0.41272386  1.0
  Ti  Ti6  1  0.70610929  0.91113777  0.60810827  1.0
  Ti  Ti7  1  0.70610929  0.08886223  0.39189173  1.0
  Ti  Ti8  1  0.97787893  0.02797460  0.85936468  1.0
  Ti  Ti9  1  0.97787893  0.97202540  0.14063532  1.0
  Ti  Ti10  1  0.47581030  0.64234616  0.52752287  1.0
  Ti  Ti11  1  0.47581030  0.35765384  0.47247713  1.0
  Ti  Ti12  1  0.02837206  0.47232252  0.64084649  1.0
  Ti  Ti13  1  0.02837206  0.52767748  0.35915351  1.0
  Ti  Ti14  1  0.52775350  0.85836392  0.97243910  1.0
  Ti  Ti15  1  0.52775350  0.14163608  0.02756090  1.0
  Ti  Ti16  1  0.26737545  0.28369020  0.81914467  1.0
  Ti  Ti17  1  0.26737545  0.71630980  0.18085533  1.0
  Ti  Ti18  1  0.76547850  0.68116834  0.78425600  1.0
  Ti  Ti19  1  0.76547850  0.31883166  0.21574400  1.0
  Ti  Ti20  1  0.74231697  0.21698570  0.68373853  1.0
  Ti  Ti21  1  0.74231697  0.78301430  0.31626147  1.0
  Ti  Ti22  1  0.23796230  0.81743501  0.71795928  1.0
  Ti  Ti23  1  0.23796230  0.18256499  0.28204072  1.0
  P  P24  1  0.47299367  0.03821845  0.79600801  1.0
  P  P25  1  0.47299367  0.96178155  0.20399199  1.0
  P  P26  1  0.96616919  0.70551006  0.53961263  1.0
  P  P27  1  0.96616919  0.29448994  0.46038737  1.0
  P  P28  1  0.53535704  0.46148126  0.70356043  1.0
  P  P29  1  0.53535704  0.53851874  0.29643957  1.0
  P  P30  1  0.03486170  0.79689967  0.96118608  1.0
  P  P31  1  0.03486170  0.20310033  0.03881392  1.0
  H  H32  1  0.96039778  0.00000000  0.50000000  1.0