# generated using pymatgen
data_La3Th(ZnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00877920
_cell_length_b   7.46823025
_cell_length_c   16.61770081
_cell_angle_alpha   90.04258735
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Th(ZnIr)4
_chemical_formula_sum   'La6 Th2 Zn8 Ir8'
_cell_volume   497.50866746
_cell_formula_units_Z   2
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  0.25000000  0.55041326  0.78302341  1.0
  La  La1  1  0.25000000  0.67446275  0.56075798  1.0
  La  La2  1  0.75000000  0.82587490  0.05949094  1.0
  La  La3  1  0.25000000  0.16934743  0.94154004  1.0
  La  La4  1  0.75000000  0.45243735  0.21601688  1.0
  La  La5  1  0.75000000  0.94798854  0.28404309  1.0
  Th  Th6  1  0.75000000  0.32823769  0.44109868  1.0
  Th  Th7  1  0.25000000  0.05186010  0.71743324  1.0
  Zn  Zn8  1  0.25000000  0.12120853  0.14754756  1.0
  Zn  Zn9  1  0.25000000  0.99406144  0.44132393  1.0
  Zn  Zn10  1  0.75000000  0.87438286  0.85196368  1.0
  Zn  Zn11  1  0.75000000  0.00028100  0.55700184  1.0
  Zn  Zn12  1  0.25000000  0.49706444  0.05805227  1.0
  Zn  Zn13  1  0.75000000  0.36893229  0.64851262  1.0
  Zn  Zn14  1  0.75000000  0.49868115  0.94178626  1.0
  Zn  Zn15  1  0.25000000  0.61893928  0.35227794  1.0
  Ir  Ir16  1  0.75000000  0.24580519  0.80754204  1.0
  Ir  Ir17  1  0.25000000  0.25421056  0.32400504  1.0
  Ir  Ir18  1  0.25000000  0.73421921  0.93280388  1.0
  Ir  Ir19  1  0.25000000  0.24481508  0.56215122  1.0
  Ir  Ir20  1  0.25000000  0.75036458  0.18338991  1.0
  Ir  Ir21  1  0.75000000  0.75304171  0.43393750  1.0
  Ir  Ir22  1  0.75000000  0.26057397  0.06718701  1.0
  Ir  Ir23  1  0.75000000  0.78279768  0.68711505  1.0