# generated using pymatgen
data_ZrSc3(NiP)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64247751
_cell_length_b   9.96707536
_cell_length_c   12.23179872
_cell_angle_alpha   90.07900659
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc3(NiP)6
_chemical_formula_sum   'Zr2 Sc6 Ni12 P12'
_cell_volume   444.07316914
_cell_formula_units_Z   2
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  0.75000000  0.66094628  0.00234672  1.0
  Zr  Zr1  1  0.25000000  0.33905372  0.99765328  1.0
  Sc  Sc2  1  0.25000000  0.07252397  0.21312498  1.0
  Sc  Sc3  1  0.75000000  0.92747603  0.78687502  1.0
  Sc  Sc4  1  0.75000000  0.57230589  0.28952861  1.0
  Sc  Sc5  1  0.25000000  0.42769411  0.71047139  1.0
  Sc  Sc6  1  0.25000000  0.15778974  0.49750438  1.0
  Sc  Sc7  1  0.75000000  0.84221026  0.50249562  1.0
  Ni  Ni8  1  0.25000000  0.72534274  0.66535412  1.0
  Ni  Ni9  1  0.75000000  0.27465726  0.33464588  1.0
  Ni  Ni10  1  0.75000000  0.22499900  0.83625328  1.0
  Ni  Ni11  1  0.25000000  0.77500100  0.16374672  1.0
  Ni  Ni12  1  0.25000000  0.36680828  0.21987211  1.0
  Ni  Ni13  1  0.75000000  0.63319172  0.78012789  1.0
  Ni  Ni14  1  0.75000000  0.86395730  0.28125191  1.0
  Ni  Ni15  1  0.25000000  0.13604270  0.71874809  1.0
  Ni  Ni16  1  0.25000000  0.59282052  0.48152736  1.0
  Ni  Ni17  1  0.75000000  0.40717948  0.51847264  1.0
  Ni  Ni18  1  0.75000000  0.09475371  0.01994423  1.0
  Ni  Ni19  1  0.25000000  0.90524629  0.98005577  1.0
  P  P20  1  0.25000000  0.94427716  0.62721741  1.0
  P  P21  1  0.75000000  0.05572284  0.37278259  1.0
  P  P22  1  0.75000000  0.44427531  0.87208042  1.0
  P  P23  1  0.25000000  0.55572469  0.12791958  1.0
  P  P24  1  0.25000000  0.39598864  0.39898907  1.0
  P  P25  1  0.75000000  0.60401136  0.60101093  1.0
  P  P26  1  0.75000000  0.89819075  0.10267449  1.0
  P  P27  1  0.25000000  0.10180925  0.89732551  1.0
  P  P28  1  0.25000000  0.76270413  0.35379618  1.0
  P  P29  1  0.75000000  0.23729587  0.64620382  1.0
  P  P30  1  0.75000000  0.26488271  0.14722932  1.0
  P  P31  1  0.25000000  0.73511729  0.85277068  1.0