# generated using pymatgen
data_Y3ThScIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01698604
_cell_length_b   10.77476853
_cell_length_c   6.26541841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThScIr3
_chemical_formula_sum   'Y12 Th4 Sc4 Ir12'
_cell_volume   743.73946556
_cell_formula_units_Z   4
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
  Y  Y0  1  0.58774889  0.77852936  0.88439687  1.0
  Y  Y1  1  0.58774889  0.22147064  0.38439687  1.0
  Y  Y2  1  0.41225111  0.77852936  0.38439687  1.0
  Y  Y3  1  0.41225111  0.22147064  0.88439687  1.0
  Y  Y4  1  0.20946293  0.41588965  0.61785304  1.0
  Y  Y5  1  0.20946293  0.58411035  0.11785304  1.0
  Y  Y6  1  0.79053707  0.41588965  0.11785304  1.0
  Y  Y7  1  0.79053707  0.58411035  0.61785304  1.0
  Y  Y8  1  0.91740900  0.71170290  0.10834126  1.0
  Y  Y9  1  0.91740900  0.28829710  0.60834126  1.0
  Y  Y10  1  0.08259100  0.71170290  0.60834126  1.0
  Y  Y11  1  0.08259100  0.28829710  0.10834126  1.0
  Th  Th12  1  0.29123993  0.09304052  0.38305694  1.0
  Th  Th13  1  0.29123993  0.90695948  0.88305694  1.0
  Th  Th14  1  0.70876007  0.09304052  0.88305694  1.0
  Th  Th15  1  0.70876007  0.90695948  0.38305694  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.48724609  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.98724609  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.02822167  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.52822167  1.0
  Ir  Ir20  1  0.85084746  0.14449893  0.23912921  1.0
  Ir  Ir21  1  0.85084746  0.85550107  0.73912921  1.0
  Ir  Ir22  1  0.14915254  0.14449893  0.73912921  1.0
  Ir  Ir23  1  0.14915254  0.85550107  0.23912921  1.0
  Ir  Ir24  1  0.64686485  0.35326871  0.76513904  1.0
  Ir  Ir25  1  0.64686485  0.64673129  0.26513904  1.0
  Ir  Ir26  1  0.35313515  0.35326871  0.26513904  1.0
  Ir  Ir27  1  0.35313515  0.64673129  0.76513904  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.12010535  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.62010535  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.86859316  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.36859316  1.0