# generated using pymatgen
data_TbThIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31859257
_cell_length_b   5.31859309
_cell_length_c   17.88660719
_cell_angle_alpha   98.55016610
_cell_angle_beta   98.55016727
_cell_angle_gamma   60.00000500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbThIr6
_chemical_formula_sum   'Tb3 Th3 Ir18'
_cell_volume   431.67414833
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.42932644  0.42932644  0.28798031  1.0
  Tb  Tb1  1  0.93130873  0.93130873  0.79392619  1.0
  Tb  Tb2  1  0.07030929  0.07030929  0.21092786  1.0
  Th  Th3  1  0.56994384  0.56994384  0.70983152  1.0
  Th  Th4  1  0.00086488  0.00086488  0.00259564  1.0
  Th  Th5  1  0.49828746  0.49828746  0.49485938  1.0
  Ir  Ir6  1  0.45920875  0.95807228  0.37535331  1.0
  Ir  Ir7  1  0.96068988  0.45861997  0.87792882  1.0
  Ir  Ir8  1  0.95807228  0.95807228  0.37535331  1.0
  Ir  Ir9  1  0.45861997  0.45861997  0.87792882  1.0
  Ir  Ir10  1  0.95807228  0.45920875  0.37535331  1.0
  Ir  Ir11  1  0.45861997  0.96068988  0.87792882  1.0
  Ir  Ir12  1  0.04038268  0.54197285  0.12432638  1.0
  Ir  Ir13  1  0.54011947  0.04095462  0.62202972  1.0
  Ir  Ir14  1  0.54197285  0.54197285  0.12432638  1.0
  Ir  Ir15  1  0.04095462  0.04095462  0.62202972  1.0
  Ir  Ir16  1  0.54197285  0.04038268  0.12432638  1.0
  Ir  Ir17  1  0.04095462  0.54011947  0.62202972  1.0
  Ir  Ir18  1  0.33398746  0.33398746  0.00196439  1.0
  Ir  Ir19  1  0.83326094  0.83326094  0.49978383  1.0
  Ir  Ir20  1  0.16614874  0.16614874  0.49844723  1.0
  Ir  Ir21  1  0.66663154  0.66663154  0.99989361  1.0
  Ir  Ir22  1  0.74999951  0.74999951  0.24999953  1.0
  Ir  Ir23  1  0.25029194  0.25029194  0.75087782  1.0