# generated using pymatgen
data_Th2Nb3Ni9P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33234501
_cell_length_b   9.33234487
_cell_length_c   3.79308621
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Nb3Ni9P7
_chemical_formula_sum   'Th2 Nb3 Ni9 P7'
_cell_volume   286.09146976
_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
  Th  Th0  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.77921479  0.22538600  0.50000000  1.0
  Nb  Nb3  1  0.77461400  0.55382880  0.50000000  1.0
  Nb  Nb4  1  0.44617120  0.22078521  0.50000000  1.0
  Ni  Ni5  1  0.03065092  0.26699039  0.00000000  1.0
  Ni  Ni6  1  0.73300961  0.76365953  0.00000000  1.0
  Ni  Ni7  1  0.23634047  0.96934908  0.00000000  1.0
  Ni  Ni8  1  0.53553209  0.04915699  0.00000000  1.0
  Ni  Ni9  1  0.95084301  0.48637510  0.00000000  1.0
  Ni  Ni10  1  0.51362490  0.46446791  0.00000000  1.0
  Ni  Ni11  1  0.60451588  0.88973986  0.50000000  1.0
  Ni  Ni12  1  0.11026014  0.71477401  0.50000000  1.0
  Ni  Ni13  1  0.28522599  0.39548412  0.50000000  1.0
  P  P14  1  0.76672503  0.02314565  0.00000000  1.0
  P  P15  1  0.97685435  0.74358037  0.00000000  1.0
  P  P16  1  0.25641963  0.23327497  0.00000000  1.0
  P  P17  1  0.37420101  0.93083240  0.50000000  1.0
  P  P18  1  0.06916760  0.44336861  0.50000000  1.0
  P  P19  1  0.55663139  0.62579899  0.50000000  1.0
  P  P20  1  0.66666700  0.33333300  0.00000000  1.0