# generated using pymatgen
data_Ni15Mo17P12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03780220
_cell_length_b   7.05802051
_cell_length_c   13.33494661
_cell_angle_alpha   98.52020639
_cell_angle_beta   92.95361231
_cell_angle_gamma   119.70458225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni15Mo17P12
_chemical_formula_sum   'Ni15 Mo17 P12'
_cell_volume   562.94251693
_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
  Ni  Ni0  1  0.78119800  0.16864700  0.74884000  1
  Ni  Ni1  1  0.77992400  0.66681700  0.24931000  1
  Ni  Ni2  1  0.22007600  0.33318300  0.75069000  1
  Ni  Ni3  1  0.21880200  0.83135300  0.25116000  1
  Ni  Ni4  1  0.36497800  0.03394800  0.74948200  1
  Ni  Ni5  1  0.36451700  0.53314800  0.24891600  1
  Ni  Ni6  1  0.63548300  0.46685200  0.75108400  1
  Ni  Ni7  1  0.63502200  0.96605200  0.25051800  1
  Ni  Ni8  1  0.50053900  0.74855800  0.74900500  1
  Ni  Ni9  1  0.49946100  0.25144200  0.25099500  1
  Ni  Ni10  1  0.64430100  0.29624100  0.91561900  1
  Ni  Ni11  1  0.64375000  0.79550100  0.41534200  1
  Ni  Ni12  1  0.35625000  0.20449900  0.58465800  1
  Ni  Ni13  1  0.35569900  0.70375900  0.08438100  1
  Ni  Ni14  1  0.00000000  0.50000000  0.50000000  1
  Mo  Mo15  1  0.94162500  0.91503300  0.77779300  1
  Mo  Mo16  1  0.94174200  0.41312400  0.28567500  1
  Mo  Mo17  1  0.05825800  0.58687600  0.71432500  1
  Mo  Mo18  1  0.05837500  0.08496700  0.22220700  1
  Mo  Mo19  1  0.70328600  0.63134300  0.57893800  1
  Mo  Mo20  1  0.69862800  0.13358000  0.08149500  1
  Mo  Mo21  1  0.30137200  0.86642000  0.91850500  1
  Mo  Mo22  1  0.29671400  0.36865700  0.42106200  1
  Mo  Mo23  1  0.43154100  0.85154800  0.57055300  1
  Mo  Mo24  1  0.44110000  0.35784300  0.07217900  1
  Mo  Mo25  1  0.55890000  0.64215700  0.92782100  1
  Mo  Mo26  1  0.56845900  0.14845200  0.42944700  1
  Mo  Mo27  1  0.07569000  0.39128100  0.92391600  1
  Mo  Mo28  1  0.07521100  0.88405900  0.42475100  1
  Mo  Mo29  1  0.92478900  0.11594100  0.57524900  1
  Mo  Mo30  1  0.92431000  0.60871900  0.07608400  1
  Mo  Mo31  1  0.00000000  0.00000000  0.00000000  1
  P  P32  1  0.70193600  0.01532700  0.88874500  1
  P  P33  1  0.70819400  0.51733700  0.39290600  1
  P  P34  1  0.29180600  0.48266300  0.60709400  1
  P  P35  1  0.29806400  0.98467300  0.11125500  1
  P  P36  1  0.29868600  0.21553900  0.88355700  1
  P  P37  1  0.29897000  0.71644800  0.38613600  1
  P  P38  1  0.70103000  0.28355200  0.61386400  1
  P  P39  1  0.70131400  0.78446100  0.11644300  1
  P  P40  1  0.09696300  0.88133100  0.61507300  1
  P  P41  1  0.09715400  0.38231000  0.11835800  1
  P  P42  1  0.90284600  0.61769000  0.88164200  1
  P  P43  1  0.90303700  0.11866900  0.38492700  1
