# generated using pymatgen
data_Nd3Th11Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98613818
_cell_length_b   10.09557595
_cell_length_c   6.39901954
_cell_angle_alpha   90.05667140
_cell_angle_beta   90.07059212
_cell_angle_gamma   120.07491988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th11Ir6
_chemical_formula_sum   'Nd3 Th11 Ir6'
_cell_volume   558.26872538
_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  0.46118266  0.53780612  0.29616094  1.0
  Nd  Nd1  1  0.07503718  0.53639539  0.29808258  1.0
  Nd  Nd2  1  0.92556852  0.46225853  0.79798863  1.0
  Th  Th3  1  0.25341076  0.12784337  0.50249485  1.0
  Th  Th4  1  0.54276795  0.08331398  0.79672643  1.0
  Th  Th5  1  0.74461382  0.87252648  0.00157491  1.0
  Th  Th6  1  0.66442784  0.33095864  0.28731830  1.0
  Th  Th7  1  0.12724890  0.87169917  0.99982173  1.0
  Th  Th8  1  0.45913697  0.91796450  0.29723238  1.0
  Th  Th9  1  0.54178201  0.46006491  0.79882740  1.0
  Th  Th10  1  0.87360315  0.12733223  0.50230424  1.0
  Th  Th11  1  0.12620929  0.25424015  0.00074206  1.0
  Th  Th12  1  0.87160086  0.74478156  0.49886347  1.0
  Th  Th13  1  0.33584327  0.66886597  0.78119439  1.0
  Ir  Ir14  1  0.80955631  0.62802280  0.05323811  1.0
  Ir  Ir15  1  0.80894857  0.18142438  0.05634793  1.0
  Ir  Ir16  1  0.62773961  0.81834499  0.55274227  1.0
  Ir  Ir17  1  0.37458431  0.18742272  0.04786107  1.0
  Ir  Ir18  1  0.18584843  0.36929145  0.56300991  1.0
  Ir  Ir19  1  0.19088859  0.81944166  0.55146838  1.0