# generated using pymatgen
data_NaTh(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83277260
_cell_length_b   6.83277273
_cell_length_c   9.11382525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.00471304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTh(Al5Ru)4
_chemical_formula_sum   'Na1 Th1 Al20 Ru4'
_cell_volume   422.31933194
_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  0.12683446  0.87316554  0.25000000  1.0
  Th  Th1  1  0.87686879  0.12313121  0.75000000  1.0
  Al  Al2  1  0.62132145  0.37867855  0.55281112  1.0
  Al  Al3  1  0.37612230  0.62387770  0.45934099  1.0
  Al  Al4  1  0.37612230  0.62387770  0.04065901  1.0
  Al  Al5  1  0.62132145  0.37867855  0.94718888  1.0
  Al  Al6  1  0.22938311  0.22456666  0.49575837  1.0
  Al  Al7  1  0.77543334  0.77061689  0.49575837  1.0
  Al  Al8  1  0.77543334  0.77061689  0.00424163  1.0
  Al  Al9  1  0.22938311  0.22456666  0.00424163  1.0
  Al  Al10  1  0.83887330  0.16112670  0.10442564  1.0
  Al  Al11  1  0.15581749  0.84418251  0.90372323  1.0
  Al  Al12  1  0.15581749  0.84418251  0.59627677  1.0
  Al  Al13  1  0.83887330  0.16112670  0.39557436  1.0
  Al  Al14  1  0.86341481  0.59615989  0.75000000  1.0
  Al  Al15  1  0.14134538  0.41467231  0.25000000  1.0
  Al  Al16  1  0.40384011  0.13658519  0.75000000  1.0
  Al  Al17  1  0.58532769  0.85865462  0.25000000  1.0
  Al  Al18  1  0.22197989  0.48198670  0.75000000  1.0
  Al  Al19  1  0.78320950  0.52521936  0.25000000  1.0
  Al  Al20  1  0.51801330  0.77802011  0.75000000  1.0
  Al  Al21  1  0.47478064  0.21679050  0.25000000  1.0
  Ru  Ru22  1  0.99995007  0.49470785  0.50141842  1.0
  Ru  Ru23  1  0.99995007  0.49470785  0.99858158  1.0
  Ru  Ru24  1  0.50529215  0.00004993  0.99858158  1.0
  Ru  Ru25  1  0.50529215  0.00004993  0.50141842  1.0