# generated using pymatgen
data_Nd2SiAs5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80665903
_cell_length_b   8.75794004
_cell_length_c   8.75793979
_cell_angle_alpha   60.36837530
_cell_angle_beta   59.81581767
_cell_angle_gamma   59.81580832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2SiAs5Pd21
_chemical_formula_sum   'Nd2 Si1 As5 Pd21'
_cell_volume   477.60963731
_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  0.75032965  0.74967035  0.74967035  1.0
  Nd  Nd1  1  0.25032965  0.24967035  0.24967035  1.0
  Si  Si2  1  0.26023530  0.73976470  0.73976470  1.0
  As  As3  1  0.73848480  0.73907824  0.26151520  1.0
  As  As4  1  0.26092176  0.73907824  0.26151520  1.0
  As  As5  1  0.74079655  0.25920345  0.25920345  1.0
  As  As6  1  0.26092176  0.26151520  0.73907824  1.0
  As  As7  1  0.73848480  0.26151520  0.73907824  1.0
  Pd  Pd8  1  0.00105486  0.99894514  0.99894514  1.0
  Pd  Pd9  1  0.61475277  0.61583807  0.15465638  1.0
  Pd  Pd10  1  0.61475277  0.15465638  0.61583807  1.0
  Pd  Pd11  1  0.15500646  0.61846156  0.61846156  1.0
  Pd  Pd12  1  0.60807241  0.61846156  0.61846156  1.0
  Pd  Pd13  1  0.38153844  0.39192759  0.84499354  1.0
  Pd  Pd14  1  0.38153844  0.84499354  0.39192759  1.0
  Pd  Pd15  1  0.84534362  0.38524723  0.38524723  1.0
  Pd  Pd16  1  0.38416193  0.38524723  0.38524723  1.0
  Pd  Pd17  1  0.99930356  0.00069644  0.35053984  1.0
  Pd  Pd18  1  0.64946016  0.00069644  0.35053984  1.0
  Pd  Pd19  1  0.00303669  0.64926088  0.34466574  1.0
  Pd  Pd20  1  0.64946016  0.35053984  0.00069644  1.0
  Pd  Pd21  1  0.99930356  0.35053984  0.00069644  1.0
  Pd  Pd22  1  0.00303669  0.34466574  0.64926088  1.0
  Pd  Pd23  1  0.34576953  0.65423047  0.99397012  1.0
  Pd  Pd24  1  0.34576953  0.99397012  0.65423047  1.0
  Pd  Pd25  1  0.35073912  0.99696331  0.99696331  1.0
  Pd  Pd26  1  0.00602988  0.99397012  0.65423047  1.0
  Pd  Pd27  1  0.00602988  0.65423047  0.99397012  1.0
  Pd  Pd28  1  0.65533426  0.99696331  0.99696331  1.0