# generated using pymatgen
data_CeTh7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21145730
_cell_length_b   8.18780051
_cell_length_c   8.52277114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.90474014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh7(Si3Ir)4
_chemical_formula_sum   'Ce1 Th7 Si12 Ir4'
_cell_volume   496.72387004
_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  0.99985743  0.49992822  0.75000000  1.0
  Th  Th1  1  0.00001427  0.00000714  0.25000000  1.0
  Th  Th2  1  0.99999265  0.99999632  0.75000000  1.0
  Th  Th3  1  0.49998353  0.50001497  0.25000000  1.0
  Th  Th4  1  0.49998353  0.99996756  0.25000000  1.0
  Th  Th5  1  0.00005716  0.50002808  0.25000000  1.0
  Th  Th6  1  0.50002681  0.49999903  0.75000000  1.0
  Th  Th7  1  0.50002681  0.00002778  0.75000000  1.0
  Si  Si8  1  0.16600004  0.83208517  0.50048998  1.0
  Si  Si9  1  0.16600004  0.33391488  0.50048998  1.0
  Si  Si10  1  0.66941988  0.83470944  0.49949566  1.0
  Si  Si11  1  0.83400815  0.16791024  0.50038864  1.0
  Si  Si12  1  0.83400815  0.66609691  0.50038864  1.0
  Si  Si13  1  0.33059112  0.16529556  0.49945443  1.0
  Si  Si14  1  0.83400815  0.16791024  0.99961136  1.0
  Si  Si15  1  0.83400815  0.66609691  0.99961136  1.0
  Si  Si16  1  0.33059112  0.16529556  0.00054557  1.0
  Si  Si17  1  0.16600004  0.83208517  0.99951002  1.0
  Si  Si18  1  0.16600004  0.33391488  0.99951002  1.0
  Si  Si19  1  0.66941988  0.83470944  0.00050434  1.0
  Ir  Ir20  1  0.33684198  0.66842249  0.49766028  1.0
  Ir  Ir21  1  0.66316254  0.33158027  0.49760033  1.0
  Ir  Ir22  1  0.66316254  0.33158027  0.00239967  1.0
  Ir  Ir23  1  0.33684198  0.66842249  0.00233972  1.0