# generated using pymatgen
data_Sc2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97868187
_cell_length_b   8.97868187
_cell_length_c   3.59498409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni12P7
_chemical_formula_sum   'Sc2 Ni12 P7'
_cell_volume   250.98789284
_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  0.66666700  0.33333300  0.50000000  1
  Sc  Sc1  1  0.33333300  0.66666700  0.00000000  1
  Ni  Ni2  1  0.38326100  0.43385600  0.50000000  1
  Ni  Ni3  1  0.05059500  0.61673900  0.50000000  1
  Ni  Ni4  1  0.21985900  0.09384300  0.50000000  1
  Ni  Ni5  1  0.87398400  0.78014100  0.50000000  1
  Ni  Ni6  1  0.90615700  0.12601600  0.50000000  1
  Ni  Ni7  1  0.72362700  0.87852700  0.00000000  1
  Ni  Ni8  1  0.12147300  0.84509900  0.00000000  1
  Ni  Ni9  1  0.15490100  0.27637300  0.00000000  1
  Ni  Ni10  1  0.93719600  0.37301500  0.00000000  1
  Ni  Ni11  1  0.62698500  0.56418200  0.00000000  1
  Ni  Ni12  1  0.43581800  0.06280400  0.00000000  1
  Ni  Ni13  1  0.56614400  0.94940500  0.50000000  1
  P  P14  1  0.00000000  0.00000000  0.00000000  1
  P  P15  1  0.41246100  0.29388100  0.00000000  1
  P  P16  1  0.58823500  0.70638800  0.50000000  1
  P  P17  1  0.29361200  0.88184700  0.50000000  1
  P  P18  1  0.11815300  0.41176500  0.50000000  1
  P  P19  1  0.70611900  0.11858000  0.00000000  1
  P  P20  1  0.88142000  0.58753900  0.00000000  1
