# generated using pymatgen
data_NdTh7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20618502
_cell_length_b   8.20618536
_cell_length_c   8.52314283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh7(Si3Ir)4
_chemical_formula_sum   'Nd1 Th7 Si12 Ir4'
_cell_volume   497.06484511
_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  0.25000000  1.0
  Th  Th1  1  0.49995662  0.50004338  0.75000000  1.0
  Th  Th2  1  0.50005330  0.49994670  0.25000000  1.0
  Th  Th3  1  0.00008476  0.50004338  0.75000000  1.0
  Th  Th4  1  0.99989340  0.49994670  0.25000000  1.0
  Th  Th5  1  0.49995662  0.99991524  0.75000000  1.0
  Th  Th6  1  0.50005330  0.00010660  0.25000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.83367596  0.16632404  0.99950245  1.0
  Si  Si9  1  0.16633116  0.83366884  0.99974517  1.0
  Si  Si10  1  0.33264707  0.16632404  0.99950245  1.0
  Si  Si11  1  0.16633116  0.83366884  0.50025483  1.0
  Si  Si12  1  0.66733568  0.83366884  0.99974517  1.0
  Si  Si13  1  0.83367596  0.16632404  0.50049755  1.0
  Si  Si14  1  0.83367596  0.66735293  0.99950245  1.0
  Si  Si15  1  0.66733568  0.83366884  0.50025483  1.0
  Si  Si16  1  0.16633116  0.33266432  0.99974517  1.0
  Si  Si17  1  0.33264707  0.16632404  0.50049755  1.0
  Si  Si18  1  0.16633116  0.33266432  0.50025483  1.0
  Si  Si19  1  0.83367596  0.66735293  0.50049755  1.0
  Ir  Ir20  1  0.66666700  0.33333300  0.00077177  1.0
  Ir  Ir21  1  0.33333300  0.66666700  0.00122814  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.49877186  1.0
  Ir  Ir23  1  0.66666700  0.33333300  0.49922823  1.0