# generated using pymatgen
data_Nd2Si5AsPd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68225427
_cell_length_b   8.68225359
_cell_length_c   8.62478122
_cell_angle_alpha   60.21873524
_cell_angle_beta   60.21873783
_cell_angle_gamma   59.56252635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Si5AsPd21
_chemical_formula_sum   'Nd2 Si5 As1 Pd21'
_cell_volume   459.68490325
_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  0.75003350  0.75003350  0.74996650  1.0
  Nd  Nd1  1  0.25003350  0.25003350  0.24996650  1.0
  Si  Si2  1  0.26315112  0.73675958  0.26324042  1.0
  Si  Si3  1  0.73675958  0.26315112  0.26324042  1.0
  Si  Si4  1  0.26355042  0.26355042  0.73644958  1.0
  Si  Si5  1  0.73675958  0.26315112  0.73684888  1.0
  Si  Si6  1  0.26315112  0.73675958  0.73684888  1.0
  As  As7  1  0.73840918  0.73840918  0.26159082  1.0
  Pd  Pd8  1  0.00075498  0.00075498  0.99924502  1.0
  Pd  Pd9  1  0.61155100  0.61155100  0.15683663  1.0
  Pd  Pd10  1  0.61379748  0.15646690  0.61486881  1.0
  Pd  Pd11  1  0.15646690  0.61379748  0.61486881  1.0
  Pd  Pd12  1  0.61155100  0.61155100  0.62006137  1.0
  Pd  Pd13  1  0.38513119  0.38513119  0.84353310  1.0
  Pd  Pd14  1  0.37993863  0.84316337  0.38844900  1.0
  Pd  Pd15  1  0.84316337  0.37993863  0.38844900  1.0
  Pd  Pd16  1  0.38513119  0.38513119  0.38620252  1.0
  Pd  Pd17  1  0.00135230  0.00135230  0.34410054  1.0
  Pd  Pd18  1  0.65263784  0.00688968  0.34736216  1.0
  Pd  Pd19  1  0.00688968  0.65263784  0.34736216  1.0
  Pd  Pd20  1  0.65589946  0.34680514  0.99864770  1.0
  Pd  Pd21  1  0.99894041  0.34416011  0.00105959  1.0
  Pd  Pd22  1  0.99894041  0.34416011  0.65583989  1.0
  Pd  Pd23  1  0.34680514  0.65589946  0.99864770  1.0
  Pd  Pd24  1  0.34416011  0.99894041  0.65583989  1.0
  Pd  Pd25  1  0.34416011  0.99894041  0.00105959  1.0
  Pd  Pd26  1  0.00135230  0.00135230  0.65319486  1.0
  Pd  Pd27  1  0.00688968  0.65263784  0.99311032  1.0
  Pd  Pd28  1  0.65263784  0.00688968  0.99311032  1.0