# generated using pymatgen
data_Nd8Be(Si4Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00849348
_cell_length_b   8.00849357
_cell_length_c   8.59260000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd8Be(Si4Ni)3
_chemical_formula_sum   'Nd8 Be1 Si12 Ni3'
_cell_volume   477.26203266
_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  0.00000000  0.00000000  0.74836858  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.25161653  1.0
  Nd  Nd2  1  0.50027335  0.49972665  0.74834730  1.0
  Nd  Nd3  1  0.50027335  0.00054770  0.74834730  1.0
  Nd  Nd4  1  0.99945230  0.49972665  0.74834730  1.0
  Nd  Nd5  1  0.50034264  0.49965736  0.25165051  1.0
  Nd  Nd6  1  0.99931571  0.49965736  0.25165051  1.0
  Nd  Nd7  1  0.50034264  0.00068429  0.25165051  1.0
  Be  Be8  1  0.33333300  0.66666700  0.00006712  1.0
  Si  Si9  1  0.82682335  0.17317665  0.99996450  1.0
  Si  Si10  1  0.82682335  0.65364569  0.99996450  1.0
  Si  Si11  1  0.34635431  0.17317665  0.99996450  1.0
  Si  Si12  1  0.82839923  0.17160077  0.50006418  1.0
  Si  Si13  1  0.82839923  0.65679646  0.50006418  1.0
  Si  Si14  1  0.34320354  0.17160077  0.50006418  1.0
  Si  Si15  1  0.17126390  0.82873610  0.49993173  1.0
  Si  Si16  1  0.65747220  0.82873610  0.49993173  1.0
  Si  Si17  1  0.17126390  0.34252780  0.49993173  1.0
  Si  Si18  1  0.16988108  0.83011892  0.00003959  1.0
  Si  Si19  1  0.66023883  0.83011892  0.00003959  1.0
  Si  Si20  1  0.16988108  0.33976117  0.00003959  1.0
  Ni  Ni21  1  0.66666700  0.33333300  0.99989041  1.0
  Ni  Ni22  1  0.66666700  0.33333300  0.50006111  1.0
  Ni  Ni23  1  0.33333300  0.66666700  0.49999979  1.0