# generated using pymatgen
data_ZrSc(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63538123
_cell_length_b   9.97136011
_cell_length_c   12.26337485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(NiP)3
_chemical_formula_sum   'Zr4 Sc4 Ni12 P12'
_cell_volume   444.54360299
_cell_formula_units_Z   4
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  0.25000000  0.16004165  0.49775610  1.0
  Zr  Zr1  1  0.75000000  0.83995835  0.50224390  1.0
  Zr  Zr2  1  0.75000000  0.66004165  0.00224390  1.0
  Zr  Zr3  1  0.25000000  0.33995835  0.99775610  1.0
  Sc  Sc4  1  0.25000000  0.07273930  0.21092393  1.0
  Sc  Sc5  1  0.75000000  0.92726070  0.78907607  1.0
  Sc  Sc6  1  0.75000000  0.57273930  0.28907607  1.0
  Sc  Sc7  1  0.25000000  0.42726070  0.71092393  1.0
  Ni  Ni8  1  0.25000000  0.72567816  0.66395172  1.0
  Ni  Ni9  1  0.75000000  0.27432184  0.33604828  1.0
  Ni  Ni10  1  0.75000000  0.22567816  0.83604828  1.0
  Ni  Ni11  1  0.25000000  0.77432184  0.16395172  1.0
  Ni  Ni12  1  0.25000000  0.36516522  0.22011474  1.0
  Ni  Ni13  1  0.75000000  0.63483478  0.77988526  1.0
  Ni  Ni14  1  0.75000000  0.86516522  0.27988526  1.0
  Ni  Ni15  1  0.25000000  0.13483478  0.72011474  1.0
  Ni  Ni16  1  0.25000000  0.59478615  0.48001600  1.0
  Ni  Ni17  1  0.75000000  0.40521385  0.51998400  1.0
  Ni  Ni18  1  0.75000000  0.09478615  0.01998400  1.0
  Ni  Ni19  1  0.25000000  0.90521385  0.98001600  1.0
  P  P20  1  0.25000000  0.94506711  0.62825063  1.0
  P  P21  1  0.75000000  0.05493289  0.37174937  1.0
  P  P22  1  0.75000000  0.44506711  0.87174937  1.0
  P  P23  1  0.25000000  0.55493289  0.12825063  1.0
  P  P24  1  0.25000000  0.39721325  0.39866214  1.0
  P  P25  1  0.75000000  0.60278675  0.60133786  1.0
  P  P26  1  0.75000000  0.89721325  0.10133786  1.0
  P  P27  1  0.25000000  0.10278675  0.89866214  1.0
  P  P28  1  0.25000000  0.76410040  0.35287104  1.0
  P  P29  1  0.75000000  0.23589960  0.64712896  1.0
  P  P30  1  0.75000000  0.26410040  0.14712896  1.0
  P  P31  1  0.25000000  0.73589960  0.85287104  1.0