# generated using pymatgen
data_NaTh(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07388413
_cell_length_b   6.11651131
_cell_length_c   5.50719388
_cell_angle_alpha   74.76696141
_cell_angle_beta   56.54106592
_cell_angle_gamma   48.69194872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTh(BIr)4
_chemical_formula_sum   'Na1 Th1 B4 Ir4'
_cell_volume   147.36901811
_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
  Na  Na0  1  0.75000000  0.75000000  0.75000000  1.0
  Th  Th1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.06726194  0.43273806  0.06726194  1.0
  B  B3  1  0.82534014  0.17465986  0.82534014  1.0
  B  B4  1  0.43273806  0.06726194  0.43273806  1.0
  B  B5  1  0.17465986  0.82534014  0.17465986  1.0
  Ir  Ir6  1  0.37853874  0.37853874  0.12146126  1.0
  Ir  Ir7  1  0.13221902  0.13221902  0.86778098  1.0
  Ir  Ir8  1  0.86778098  0.86778098  0.13221902  1.0
  Ir  Ir9  1  0.12146126  0.12146126  0.37853874  1.0