# generated using pymatgen
data_Ac3Nd(Si3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34767233
_cell_length_b   8.34767040
_cell_length_c   9.01145856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00004783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Nd(Si3Ir)2
_chemical_formula_sum   'Ac6 Nd2 Si12 Ir4'
_cell_volume   543.82128105
_cell_formula_units_Z   2
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
  Ac  Ac0  1  0.49980602  0.50019498  0.75000000  1.0
  Ac  Ac1  1  0.50019398  0.49980502  0.25000000  1.0
  Ac  Ac2  1  0.00038995  0.50019598  0.75000000  1.0
  Ac  Ac3  1  0.99961005  0.49980402  0.25000000  1.0
  Ac  Ac4  1  0.49980502  0.99961005  0.75000000  1.0
  Ac  Ac5  1  0.50019498  0.00038995  0.25000000  1.0
  Nd  Nd6  1  0.00000000  0.00000000  0.75000000  1.0
  Nd  Nd7  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si8  1  0.83468737  0.16531263  0.99985164  1.0
  Si  Si9  1  0.16531263  0.83468737  0.00014836  1.0
  Si  Si10  1  0.33062627  0.16531263  0.99985164  1.0
  Si  Si11  1  0.16531263  0.83468737  0.49985164  1.0
  Si  Si12  1  0.66937373  0.83468737  0.00014836  1.0
  Si  Si13  1  0.83468737  0.16531263  0.50014836  1.0
  Si  Si14  1  0.83468737  0.66937373  0.99985164  1.0
  Si  Si15  1  0.66937373  0.83468737  0.49985164  1.0
  Si  Si16  1  0.16531263  0.33062627  0.00014836  1.0
  Si  Si17  1  0.33062627  0.16531263  0.50014836  1.0
  Si  Si18  1  0.16531263  0.33062627  0.49985164  1.0
  Si  Si19  1  0.83468737  0.66937373  0.50014836  1.0
  Ir  Ir20  1  0.66666700  0.33333400  0.99969087  1.0
  Ir  Ir21  1  0.33333300  0.66666600  0.00030913  1.0
  Ir  Ir22  1  0.33333300  0.66666600  0.49969087  1.0
  Ir  Ir23  1  0.66666700  0.33333400  0.50030913  1.0