# generated using pymatgen
data_Nd2SiP5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61317024
_cell_length_b   8.60722481
_cell_length_c   8.60722503
_cell_angle_alpha   60.04570954
_cell_angle_beta   59.97714665
_cell_angle_gamma   59.97714404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2SiP5Pd21
_chemical_formula_sum   'Nd2 Si1 P5 Pd21'
_cell_volume   451.20502051
_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  0.74949631  0.75050369  0.75050369  1.0
  Nd  Nd1  1  0.24949631  0.25050369  0.25050369  1.0
  Si  Si2  1  0.25740851  0.74259149  0.74259149  1.0
  P  P3  1  0.73835399  0.74093599  0.26164601  1.0
  P  P4  1  0.25906401  0.74093599  0.26164601  1.0
  P  P5  1  0.73915487  0.26084513  0.26084513  1.0
  P  P6  1  0.25906401  0.26164601  0.74093599  1.0
  P  P7  1  0.73835399  0.26164601  0.74093599  1.0
  Pd  Pd8  1  0.00519292  0.99480708  0.99480708  1.0
  Pd  Pd9  1  0.61308202  0.61360919  0.16022878  1.0
  Pd  Pd10  1  0.61308202  0.16022878  0.61360919  1.0
  Pd  Pd11  1  0.15792612  0.61406566  0.61406566  1.0
  Pd  Pd12  1  0.61394456  0.61406566  0.61406566  1.0
  Pd  Pd13  1  0.38593434  0.38605544  0.84207388  1.0
  Pd  Pd14  1  0.38593434  0.84207388  0.38605544  1.0
  Pd  Pd15  1  0.83977122  0.38691798  0.38691798  1.0
  Pd  Pd16  1  0.38639081  0.38691798  0.38691798  1.0
  Pd  Pd17  1  0.99986507  0.00013493  0.34343139  1.0
  Pd  Pd18  1  0.65656861  0.00013493  0.34343139  1.0
  Pd  Pd19  1  0.00168227  0.65394330  0.34269316  1.0
  Pd  Pd20  1  0.65656861  0.34343139  0.00013493  1.0
  Pd  Pd21  1  0.99986507  0.34343139  0.00013493  1.0
  Pd  Pd22  1  0.00168227  0.34269316  0.65394330  1.0
  Pd  Pd23  1  0.34747998  0.65252002  0.00310239  1.0
  Pd  Pd24  1  0.34747998  0.00310239  0.65252002  1.0
  Pd  Pd25  1  0.34605670  0.99831773  0.99831773  1.0
  Pd  Pd26  1  0.99689761  0.00310239  0.65252002  1.0
  Pd  Pd27  1  0.99689761  0.65252002  0.00310239  1.0
  Pd  Pd28  1  0.65730684  0.99831773  0.99831773  1.0