# generated using pymatgen
data_YTh7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19921802
_cell_length_b   8.16856325
_cell_length_c   8.49384645
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.87640083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh7(Si3Ir)4
_chemical_formula_sum   'Y1 Th7 Si12 Ir4'
_cell_volume   493.27908436
_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
  Y  Y0  1  0.99981773  0.49990937  0.75000000  1.0
  Th  Th1  1  0.99996691  0.99998296  0.25000000  1.0
  Th  Th2  1  0.00001232  0.00000616  0.75000000  1.0
  Th  Th3  1  0.00013618  0.50006809  0.25000000  1.0
  Th  Th4  1  0.49991875  0.50010758  0.25000000  1.0
  Th  Th5  1  0.50009642  0.00023081  0.75000000  1.0
  Th  Th6  1  0.49991875  0.99981017  0.25000000  1.0
  Th  Th7  1  0.50009642  0.49986661  0.75000000  1.0
  Si  Si8  1  0.16574171  0.33447882  0.99800883  1.0
  Si  Si9  1  0.66970180  0.83485140  0.00121579  1.0
  Si  Si10  1  0.16574171  0.33447882  0.50199117  1.0
  Si  Si11  1  0.33028418  0.16514259  0.00145018  1.0
  Si  Si12  1  0.16574171  0.83126289  0.99800883  1.0
  Si  Si13  1  0.66970180  0.83485140  0.49878421  1.0
  Si  Si14  1  0.83427280  0.66553374  0.99827440  1.0
  Si  Si15  1  0.33028418  0.16514259  0.49854982  1.0
  Si  Si16  1  0.16574171  0.83126289  0.50199117  1.0
  Si  Si17  1  0.83427280  0.66553374  0.50172560  1.0
  Si  Si18  1  0.83427280  0.16874006  0.99827440  1.0
  Si  Si19  1  0.83427280  0.16874006  0.50172560  1.0
  Ir  Ir20  1  0.33640968  0.66820534  0.99768965  1.0
  Ir  Ir21  1  0.33640968  0.66820534  0.50231035  1.0
  Ir  Ir22  1  0.66359159  0.33179530  0.99812903  1.0
  Ir  Ir23  1  0.66359159  0.33179530  0.50187097  1.0