# generated using pymatgen
data_ZrSc(Ni3P2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63569578
_cell_length_b   10.30263713
_cell_length_c   11.99669403
_cell_angle_alpha   89.98779615
_cell_angle_beta   89.99958774
_cell_angle_gamma   89.99915555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Ni3P2)2
_chemical_formula_sum   'Zr3 Sc3 Ni18 P12'
_cell_volume   449.36320976
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.25181555  0.32009551  0.79434146  1.0
  Zr  Zr1  1  0.75181238  0.82179258  0.20605767  1.0
  Zr  Zr2  1  0.75180526  0.17865986  0.20631311  1.0
  Sc  Sc3  1  0.75186038  0.99963472  0.47410370  1.0
  Sc  Sc4  1  0.25187160  0.50032123  0.52579645  1.0
  Sc  Sc5  1  0.25187907  0.67842667  0.79290617  1.0
  Ni  Ni6  1  0.75146038  0.99965991  0.01331158  1.0
  Ni  Ni7  1  0.25153132  0.50031647  0.98684363  1.0
  Ni  Ni8  1  0.25169848  0.19720043  0.56993861  1.0
  Ni  Ni9  1  0.25175142  0.80216180  0.56920878  1.0
  Ni  Ni10  1  0.75162080  0.30209037  0.43008024  1.0
  Ni  Ni11  1  0.75161889  0.69868808  0.43009790  1.0
  Ni  Ni12  1  0.25184762  0.62342522  0.29165069  1.0
  Ni  Ni13  1  0.25183686  0.37681245  0.29166623  1.0
  Ni  Ni14  1  0.75202155  0.87525289  0.70845921  1.0
  Ni  Ni15  1  0.75183292  0.12247043  0.70806193  1.0
  Ni  Ni16  1  0.25158417  0.16826218  0.00349870  1.0
  Ni  Ni17  1  0.25160653  0.83169251  0.00292246  1.0
  Ni  Ni18  1  0.75169510  0.33182096  0.99769694  1.0
  Ni  Ni19  1  0.75158402  0.66827385  0.99674043  1.0
  Ni  Ni20  1  0.25266452  0.00108431  0.83639910  1.0
  Ni  Ni21  1  0.75257806  0.50114456  0.16385985  1.0
  Ni  Ni22  1  0.25188093  0.00056602  0.29965194  1.0
  Ni  Ni23  1  0.75183920  0.50002490  0.70019484  1.0
  P  P24  1  0.25178637  0.18360642  0.38487027  1.0
  P  P25  1  0.25179328  0.81726485  0.38431277  1.0
  P  P26  1  0.75186404  0.31649856  0.61555838  1.0
  P  P27  1  0.75188211  0.68309456  0.61590364  1.0
  P  P28  1  0.25168794  0.00003958  0.12237165  1.0
  P  P29  1  0.75173362  0.50000160  0.87712822  1.0
  P  P30  1  0.25180736  0.65575308  0.11178633  1.0
  P  P31  1  0.25188728  0.34434284  0.11179789  1.0
  P  P32  1  0.75183930  0.84369726  0.88802766  1.0
  P  P33  1  0.75180978  0.15604814  0.88825919  1.0
  P  P34  1  0.25193277  0.99941798  0.64871246  1.0
  P  P35  1  0.75188613  0.50035722  0.35147091  1.0