# generated using pymatgen
data_Y3Sc(Ni4P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79326337
_cell_length_b   10.66904094
_cell_length_c   12.34873034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sc(Ni4P3)2
_chemical_formula_sum   'Y6 Sc2 Ni16 P12'
_cell_volume   499.75907202
_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
  Y  Y0  1  0.00000000  0.50000000  0.52706882  1.0
  Y  Y1  1  0.50000000  0.00000000  0.47293118  1.0
  Y  Y2  1  0.50000000  0.82074187  0.20523375  1.0
  Y  Y3  1  0.50000000  0.17925813  0.20523375  1.0
  Y  Y4  1  0.00000000  0.67925813  0.79476625  1.0
  Y  Y5  1  0.00000000  0.32074187  0.79476625  1.0
  Sc  Sc6  1  0.50000000  0.50000000  0.15454742  1.0
  Sc  Sc7  1  0.00000000  0.00000000  0.84545258  1.0
  Ni  Ni8  1  0.50000000  0.50000000  0.70270030  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.29729970  1.0
  Ni  Ni10  1  0.00000000  0.50000000  0.98520427  1.0
  Ni  Ni11  1  0.50000000  0.00000000  0.01479573  1.0
  Ni  Ni12  1  0.50000000  0.33346244  0.99090715  1.0
  Ni  Ni13  1  0.50000000  0.66653756  0.99090715  1.0
  Ni  Ni14  1  0.00000000  0.16653756  0.00909285  1.0
  Ni  Ni15  1  0.00000000  0.83346244  0.00909285  1.0
  Ni  Ni16  1  0.50000000  0.30081894  0.43008026  1.0
  Ni  Ni17  1  0.50000000  0.69918106  0.43008026  1.0
  Ni  Ni18  1  0.00000000  0.19918106  0.56991974  1.0
  Ni  Ni19  1  0.00000000  0.80081894  0.56991974  1.0
  Ni  Ni20  1  0.50000000  0.87828763  0.70643743  1.0
  Ni  Ni21  1  0.50000000  0.12171237  0.70643743  1.0
  Ni  Ni22  1  0.00000000  0.62171237  0.29356257  1.0
  Ni  Ni23  1  0.00000000  0.37828763  0.29356257  1.0
  P  P24  1  0.50000000  0.50000000  0.88124870  1.0
  P  P25  1  0.00000000  0.00000000  0.11875130  1.0
  P  P26  1  0.50000000  0.50000000  0.35953902  1.0
  P  P27  1  0.00000000  0.00000000  0.64046098  1.0
  P  P28  1  0.50000000  0.31231687  0.61504466  1.0
  P  P29  1  0.50000000  0.68768313  0.61504466  1.0
  P  P30  1  0.00000000  0.18768313  0.38495534  1.0
  P  P31  1  0.00000000  0.81231687  0.38495534  1.0
  P  P32  1  0.50000000  0.83990674  0.89524529  1.0
  P  P33  1  0.50000000  0.16009326  0.89524529  1.0
  P  P34  1  0.00000000  0.66009326  0.10475471  1.0
  P  P35  1  0.00000000  0.33990674  0.10475471  1.0