# generated using pymatgen
data_ScNi3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63461526
_cell_length_b   10.31154223
_cell_length_c   11.98893507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi3P2
_chemical_formula_sum   'Sc6 Ni18 P12'
_cell_volume   449.32716778
_cell_formula_units_Z   6
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  0.75197484  0.00000000  0.47483066  1.0
  Sc  Sc1  1  0.25197484  0.50000000  0.52516934  1.0
  Sc  Sc2  1  0.25185339  0.67995278  0.79362202  1.0
  Sc  Sc3  1  0.25185339  0.32004722  0.79362202  1.0
  Sc  Sc4  1  0.75185339  0.82004722  0.20637798  1.0
  Sc  Sc5  1  0.75185339  0.17995278  0.20637798  1.0
  Ni  Ni6  1  0.75156811  0.00000000  0.01261016  1.0
  Ni  Ni7  1  0.25156811  0.50000000  0.98738984  1.0
  Ni  Ni8  1  0.25180156  0.19808472  0.56928936  1.0
  Ni  Ni9  1  0.25180156  0.80191528  0.56928936  1.0
  Ni  Ni10  1  0.75180156  0.30191528  0.43071064  1.0
  Ni  Ni11  1  0.75180156  0.69808472  0.43071064  1.0
  Ni  Ni12  1  0.25189565  0.62345981  0.29143326  1.0
  Ni  Ni13  1  0.25189565  0.37654019  0.29143326  1.0
  Ni  Ni14  1  0.75189565  0.87654019  0.70856674  1.0
  Ni  Ni15  1  0.75189565  0.12345981  0.70856674  1.0
  Ni  Ni16  1  0.25150949  0.16734213  0.00331481  1.0
  Ni  Ni17  1  0.25150949  0.83265787  0.00331481  1.0
  Ni  Ni18  1  0.75150949  0.33265787  0.99668519  1.0
  Ni  Ni19  1  0.75150949  0.66734213  0.99668519  1.0
  Ni  Ni20  1  0.25218911  0.00000000  0.83821226  1.0
  Ni  Ni21  1  0.75218911  0.50000000  0.16178774  1.0
  Ni  Ni22  1  0.25199985  0.00000000  0.29933214  1.0
  Ni  Ni23  1  0.75199985  0.50000000  0.70066786  1.0
  P  P24  1  0.25193972  0.18290868  0.38374847  1.0
  P  P25  1  0.25193972  0.81709132  0.38374847  1.0
  P  P26  1  0.75193972  0.31709132  0.61625153  1.0
  P  P27  1  0.75193972  0.68290868  0.61625153  1.0
  P  P28  1  0.25177851  0.00000000  0.12339984  1.0
  P  P29  1  0.75177851  0.50000000  0.87660016  1.0
  P  P30  1  0.25166674  0.65698469  0.11148200  1.0
  P  P31  1  0.25166674  0.34301531  0.11148200  1.0
  P  P32  1  0.75166674  0.84301531  0.88851800  1.0
  P  P33  1  0.75166674  0.15698469  0.88851800  1.0
  P  P34  1  0.25195645  0.00000000  0.64896722  1.0
  P  P35  1  0.75195645  0.50000000  0.35103278  1.0