# generated using pymatgen
data_Nd3Y5(Si3Ni)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96294771
_cell_length_b   7.95287667
_cell_length_c   8.32172556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04188668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Y5(Si3Ni)4
_chemical_formula_sum   'Nd3 Y5 Si12 Ni4'
_cell_volume   456.20356199
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.50017445  0.00034891  0.25000000  1.0
  Nd  Nd1  1  0.99998730  0.99997461  0.75000000  1.0
  Nd  Nd2  1  0.00000087  0.00000174  0.25000000  1.0
  Y  Y3  1  0.49987438  0.50014302  0.75000000  1.0
  Y  Y4  1  0.50008222  0.49991687  0.25000000  1.0
  Y  Y5  1  0.00026765  0.50014302  0.75000000  1.0
  Y  Y6  1  0.99983365  0.49991687  0.25000000  1.0
  Y  Y7  1  0.49984861  0.99969722  0.75000000  1.0
  Si  Si8  1  0.82896416  0.17315860  0.99761793  1.0
  Si  Si9  1  0.17104139  0.82684067  0.99791225  1.0
  Si  Si10  1  0.34419545  0.17315860  0.99761793  1.0
  Si  Si11  1  0.17104139  0.82684067  0.50208775  1.0
  Si  Si12  1  0.65579928  0.82684067  0.99791225  1.0
  Si  Si13  1  0.82896416  0.17315860  0.50238207  1.0
  Si  Si14  1  0.82734396  0.65468791  0.99946361  1.0
  Si  Si15  1  0.65579928  0.82684067  0.50208775  1.0
  Si  Si16  1  0.17263821  0.34527642  0.99969226  1.0
  Si  Si17  1  0.34419545  0.17315860  0.50238207  1.0
  Si  Si18  1  0.17263821  0.34527642  0.50030774  1.0
  Si  Si19  1  0.82734396  0.65468791  0.50053639  1.0
  Ni  Ni20  1  0.66693759  0.33387418  0.99646412  1.0
  Ni  Ni21  1  0.33304591  0.66609282  0.99728866  1.0
  Ni  Ni22  1  0.33304591  0.66609282  0.50271134  1.0
  Ni  Ni23  1  0.66693759  0.33387418  0.50353588  1.0