# generated using pymatgen
data_Nd8Zn(Si4Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20748518
_cell_length_b   8.20748674
_cell_length_c   8.56386025
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd8Zn(Si4Ir)3
_chemical_formula_sum   'Nd8 Zn1 Si12 Ir3'
_cell_volume   499.59781217
_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  0.49755428  0.50244572  0.74490758  1.0
  Nd  Nd1  1  0.49783489  0.50216511  0.25504936  1.0
  Nd  Nd2  1  0.00489044  0.50244572  0.74490758  1.0
  Nd  Nd3  1  0.00432921  0.50216511  0.25504936  1.0
  Nd  Nd4  1  0.49755428  0.99510956  0.74490758  1.0
  Nd  Nd5  1  0.49783489  0.99567079  0.25504936  1.0
  Nd  Nd6  1  0.00000000  0.00000000  0.74930374  1.0
  Nd  Nd7  1  0.00000000  0.00000000  0.25093534  1.0
  Zn  Zn8  1  0.66666700  0.33333300  0.99881689  1.0
  Si  Si9  1  0.83673415  0.16326585  0.00022937  1.0
  Si  Si10  1  0.16876770  0.83123230  0.99994252  1.0
  Si  Si11  1  0.32653169  0.16326585  0.00022937  1.0
  Si  Si12  1  0.16672129  0.83327871  0.49984067  1.0
  Si  Si13  1  0.66246460  0.83123230  0.99994252  1.0
  Si  Si14  1  0.83215078  0.16784922  0.50022067  1.0
  Si  Si15  1  0.83673415  0.67346831  0.00022937  1.0
  Si  Si16  1  0.66655642  0.83327871  0.49984067  1.0
  Si  Si17  1  0.16876770  0.33753540  0.99994252  1.0
  Si  Si18  1  0.33569944  0.16784922  0.50022067  1.0
  Si  Si19  1  0.16672129  0.33344358  0.49984067  1.0
  Si  Si20  1  0.83215078  0.66430056  0.50022067  1.0
  Ir  Ir21  1  0.33333300  0.66666700  0.00027480  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.49974271  1.0
  Ir  Ir23  1  0.66666700  0.33333300  0.50035703  1.0