# generated using pymatgen
data_CeTh3(ZnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06873007
_cell_length_b   7.09505406
_cell_length_c   8.35575054
_cell_angle_alpha   90.25906026
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh3(ZnIr)4
_chemical_formula_sum   'Ce1 Th3 Zn4 Ir4'
_cell_volume   241.21016962
_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
  Ce  Ce0  1  0.25000000  0.54664496  0.18908868  1.0
  Th  Th1  1  0.75000000  0.45320430  0.81418276  1.0
  Th  Th2  1  0.25000000  0.04731314  0.31054923  1.0
  Th  Th3  1  0.75000000  0.95173484  0.68745849  1.0
  Zn  Zn4  1  0.25000000  0.62425177  0.55668458  1.0
  Zn  Zn5  1  0.25000000  0.12692693  0.94201506  1.0
  Zn  Zn6  1  0.75000000  0.37715239  0.43955856  1.0
  Zn  Zn7  1  0.75000000  0.87025979  0.05973320  1.0
  Ir  Ir8  1  0.25000000  0.74414148  0.87434697  1.0
  Ir  Ir9  1  0.25000000  0.24371954  0.62689415  1.0
  Ir  Ir10  1  0.75000000  0.75557178  0.37162163  1.0
  Ir  Ir11  1  0.75000000  0.25908008  0.12786569  1.0