# generated using pymatgen
data_NaTh2(InIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68682683
_cell_length_b   7.29856586
_cell_length_c   4.04069529
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.34273689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTh2(InIr)3
_chemical_formula_sum   'Na1 Th2 In3 Ir3'
_cell_volume   199.51903746
_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  0.00000000  0.40531323  0.00000000  1.0
  Th  Th1  1  0.59562353  0.59271018  0.00000000  1.0
  Th  Th2  1  0.40437647  0.99708665  0.00000000  1.0
  In  In3  1  1.00000000  0.71075458  0.50000000  1.0
  In  In4  1  0.22462107  0.25715105  0.50000000  1.0
  In  In5  1  0.77537893  0.03253098  0.50000000  1.0
  Ir  Ir6  1  1.00000000  0.97591049  0.00000000  1.0
  Ir  Ir7  1  0.61826016  0.32340000  0.50000000  1.0
  Ir  Ir8  1  0.38173984  0.70514284  0.50000000  1.0