# generated using pymatgen
data_LaTh(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85993071
_cell_length_b   6.85993153
_cell_length_c   9.14388247
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.19118743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTh(Al5Ru)4
_chemical_formula_sum   'La1 Th1 Al20 Ru4'
_cell_volume   426.91406557
_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
  La  La0  1  0.12333975  0.87666025  0.25000000  1.0
  Th  Th1  1  0.87488669  0.12511331  0.75000000  1.0
  Al  Al2  1  0.62139787  0.37860213  0.55422828  1.0
  Al  Al3  1  0.37777120  0.62222880  0.45141016  1.0
  Al  Al4  1  0.37777120  0.62222880  0.04858984  1.0
  Al  Al5  1  0.62139787  0.37860213  0.94577172  1.0
  Al  Al6  1  0.23021648  0.22842958  0.50030750  1.0
  Al  Al7  1  0.77157042  0.76978352  0.50030750  1.0
  Al  Al8  1  0.77157042  0.76978352  0.99969250  1.0
  Al  Al9  1  0.23021648  0.22842958  0.99969250  1.0
  Al  Al10  1  0.83659113  0.16340887  0.10208511  1.0
  Al  Al11  1  0.16032974  0.83967026  0.89819112  1.0
  Al  Al12  1  0.16032974  0.83967026  0.60180888  1.0
  Al  Al13  1  0.83659113  0.16340887  0.39791489  1.0
  Al  Al14  1  0.86254734  0.59433589  0.75000000  1.0
  Al  Al15  1  0.13882164  0.40710756  0.25000000  1.0
  Al  Al16  1  0.40566411  0.13745266  0.75000000  1.0
  Al  Al17  1  0.59289244  0.86117836  0.25000000  1.0
  Al  Al18  1  0.22131967  0.48293752  0.75000000  1.0
  Al  Al19  1  0.77916331  0.51727003  0.25000000  1.0
  Al  Al20  1  0.51706248  0.77868033  0.75000000  1.0
  Al  Al21  1  0.48272997  0.22083669  0.25000000  1.0
  Ru  Ru22  1  0.99991687  0.49700740  0.50187909  1.0
  Ru  Ru23  1  0.99991687  0.49700740  0.99812091  1.0
  Ru  Ru24  1  0.50299260  0.00008313  0.99812091  1.0
  Ru  Ru25  1  0.50299260  0.00008313  0.50187909  1.0