# generated using pymatgen
data_Sc2Fe7Ni5P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88089252
_cell_length_b   8.92317121
_cell_length_c   3.57375092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92398476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Fe7Ni5P7
_chemical_formula_sum   'Sc2 Fe7 Ni5 P7'
_cell_volume   245.44992477
_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
  Sc  Sc0  1  0.67113812  0.33851987  0.50000000  1.0
  Sc  Sc1  1  0.33213979  0.66602916  0.00000000  1.0
  Fe  Fe2  1  0.38728013  0.43376788  0.50000000  1.0
  Fe  Fe3  1  0.04916807  0.61096380  0.50000000  1.0
  Fe  Fe4  1  0.21563124  0.09314475  0.50000000  1.0
  Fe  Fe5  1  0.87359270  0.77962026  0.50000000  1.0
  Fe  Fe6  1  0.90805021  0.12666680  0.50000000  1.0
  Fe  Fe7  1  0.71906895  0.88267869  0.00000000  1.0
  Fe  Fe8  1  0.11995955  0.84301711  0.00000000  1.0
  Ni  Ni9  1  0.15636166  0.27336616  0.00000000  1.0
  Ni  Ni10  1  0.93934453  0.36948538  0.00000000  1.0
  Ni  Ni11  1  0.63496048  0.56861347  0.00000000  1.0
  Ni  Ni12  1  0.43540999  0.06668894  0.00000000  1.0
  Ni  Ni13  1  0.55793726  0.94928152  0.50000000  1.0
  P  P14  1  0.99368790  0.99166305  0.00000000  1.0
  P  P15  1  0.41726601  0.30266953  0.00000000  1.0
  P  P16  1  0.59035814  0.70989034  0.50000000  1.0
  P  P17  1  0.27876167  0.87389538  0.50000000  1.0
  P  P18  1  0.12537063  0.41376649  0.50000000  1.0
  P  P19  1  0.70341799  0.11728609  0.00000000  1.0
  P  P20  1  0.89109500  0.58898633  0.00000000  1.0