# generated using pymatgen
data_Nd2Si2P4Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61671678
_cell_length_b   8.61672055
_cell_length_c   8.60320824
_cell_angle_alpha   60.05185919
_cell_angle_beta   60.05190830
_cell_angle_gamma   59.95578832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Si2P4Pd21
_chemical_formula_sum   'Nd2 Si2 P4 Pd21'
_cell_volume   451.88076520
_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  0.74975913  0.74975913  0.75121183  1.0
  Nd  Nd1  1  0.25023987  0.25023987  0.25073309  1.0
  Si  Si2  1  0.74076417  0.25923583  0.74284051  1.0
  Si  Si3  1  0.25923583  0.74076417  0.74284051  1.0
  P  P4  1  0.73799160  0.73799160  0.26434507  1.0
  P  P5  1  0.26030545  0.73969455  0.26285847  1.0
  P  P6  1  0.73969455  0.26030545  0.26285847  1.0
  P  P7  1  0.26200840  0.26200840  0.74032927  1.0
  Pd  Pd8  1  1.00000000  0.00000000  0.99091559  1.0
  Pd  Pd9  1  0.61302663  0.61302663  0.16130729  1.0
  Pd  Pd10  1  0.61411849  0.15843718  0.61405818  1.0
  Pd  Pd11  1  0.15843818  0.61411849  0.61405718  1.0
  Pd  Pd12  1  0.61444918  0.61444818  0.61428744  1.0
  Pd  Pd13  1  0.38555082  0.38555082  0.84318581  1.0
  Pd  Pd14  1  0.38588151  0.84156182  0.38661385  1.0
  Pd  Pd15  1  0.84156182  0.38588151  0.38661385  1.0
  Pd  Pd16  1  0.38697437  0.38697437  0.38735956  1.0
  Pd  Pd17  1  0.00000000  1.00000000  0.34244209  1.0
  Pd  Pd18  1  0.65557262  0.00189441  0.34080709  1.0
  Pd  Pd19  1  0.00189441  0.65557262  0.34080809  1.0
  Pd  Pd20  1  0.65382411  0.34617489  0.00337443  1.0
  Pd  Pd21  1  0.99810559  0.34442838  0.99827413  1.0
  Pd  Pd22  1  0.00444726  0.34548293  0.65152246  1.0
  Pd  Pd23  1  0.34617589  0.65382511  0.00337443  1.0
  Pd  Pd24  1  0.34548393  0.00444826  0.65152246  1.0
  Pd  Pd25  1  0.34442738  0.99810559  0.99827413  1.0
  Pd  Pd26  1  1.00000000  1.00000000  0.65027840  1.0
  Pd  Pd27  1  0.99555274  0.65451707  0.00145365  1.0
  Pd  Pd28  1  0.65451707  0.99555274  0.00145365  1.0