# generated using pymatgen
data_CeTh3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10828433
_cell_length_b   7.10828783
_cell_length_c   7.10830381
_cell_angle_alpha   111.78860664
_cell_angle_beta   111.76606679
_cell_angle_gamma   104.95130755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh3(B4Ir)4
_chemical_formula_sum   'Ce1 Th3 B16 Ir4'
_cell_volume   275.20958153
_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  0.25092653  0.75092371  0.49998346  1.0
  Th  Th1  1  0.78560256  0.78560873  0.00001213  1.0
  Th  Th2  1  0.21422909  0.21423627  0.00001349  1.0
  Th  Th3  1  0.74994869  0.24993834  0.49998839  1.0
  B  B4  1  0.26435776  0.10752502  0.37167868  1.0
  B  B5  1  0.73583677  0.89267537  0.62831557  1.0
  B  B6  1  0.26436127  0.89267470  0.15683835  1.0
  B  B7  1  0.73584612  0.10752389  0.84317072  1.0
  B  B8  1  0.10746887  0.73542414  0.84289254  1.0
  B  B9  1  0.89253245  0.26458337  0.15711138  1.0
  B  B10  1  0.10746994  0.26458054  0.37205058  1.0
  B  B11  1  0.89253717  0.73542615  0.62795718  1.0
  B  B12  1  0.11298078  0.11205023  0.52677499  1.0
  B  B13  1  0.58526823  0.58620241  0.47320613  1.0
  B  B14  1  0.11299023  0.58620334  0.00093603  1.0
  B  B15  1  0.58527753  0.11205992  0.99908030  1.0
  B  B16  1  0.88748858  0.88682293  0.47288179  1.0
  B  B17  1  0.41393003  0.41461426  0.52710539  1.0
  B  B18  1  0.88750383  0.41460970  0.00067572  1.0
  B  B19  1  0.41394201  0.88682491  0.99933415  1.0
  Ir  Ir20  1  0.26020672  0.49978502  0.76041615  1.0
  Ir  Ir21  1  0.73935502  0.49977595  0.23957373  1.0
  Ir  Ir22  1  0.49996668  0.73937395  0.23941153  1.0
  Ir  Ir23  1  0.49997214  0.26055815  0.76059162  1.0