# generated using pymatgen
data_NdTh3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11388503
_cell_length_b   7.11388576
_cell_length_c   7.11388608
_cell_angle_alpha   111.74587676
_cell_angle_beta   111.74587973
_cell_angle_gamma   105.01184473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh3(B4Ir)4
_chemical_formula_sum   'Nd1 Th3 B16 Ir4'
_cell_volume   275.89349157
_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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.78390036  0.78390036  1.00000000  1.0
  Th  Th2  1  0.21609964  0.21609964  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  B  B4  1  0.26515782  0.10805767  0.37238403  1.0
  B  B5  1  0.73567365  0.89277379  0.62761597  1.0
  B  B6  1  0.26515782  0.89277379  0.15710015  1.0
  B  B7  1  0.73567365  0.10805767  0.84289985  1.0
  B  B8  1  0.10722621  0.73484218  0.84289985  1.0
  B  B9  1  0.89194233  0.26432635  0.15710015  1.0
  B  B10  1  0.10722621  0.26432635  0.37238403  1.0
  B  B11  1  0.89194233  0.73484218  0.62761597  1.0
  B  B12  1  0.11337260  0.11253667  0.52729241  1.0
  B  B13  1  0.58524426  0.58607918  0.47270759  1.0
  B  B14  1  0.11337260  0.58607918  0.00083493  1.0
  B  B15  1  0.58524426  0.11253667  0.99916507  1.0
  B  B16  1  0.88746333  0.88662740  0.47270759  1.0
  B  B17  1  0.41392082  0.41475574  0.52729241  1.0
  B  B18  1  0.88746433  0.41475574  0.00083493  1.0
  B  B19  1  0.41392082  0.88662840  0.99916507  1.0
  Ir  Ir20  1  0.25964798  0.49877657  0.76087141  1.0
  Ir  Ir21  1  0.73790516  0.49877657  0.23912859  1.0
  Ir  Ir22  1  0.50122343  0.74035202  0.23912859  1.0
  Ir  Ir23  1  0.50122343  0.26209484  0.76087141  1.0