# generated using pymatgen
data_YTh5Ir18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33881219
_cell_length_b   5.33881147
_cell_length_c   17.71703409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh5Ir18
_chemical_formula_sum   'Y1 Th5 Ir18'
_cell_volume   437.33160282
_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  0.33333300  0.66666700  0.54244608  1.0
  Th  Th1  1  0.33333300  0.66666700  0.95639988  1.0
  Th  Th2  1  0.66666700  0.33333300  0.04261378  1.0
  Th  Th3  1  0.66666700  0.33333300  0.46065485  1.0
  Th  Th4  1  0.33333300  0.66666700  0.74531833  1.0
  Th  Th5  1  0.66666700  0.33333300  0.25194323  1.0
  Ir  Ir6  1  0.16739821  0.83260179  0.37410318  1.0
  Ir  Ir7  1  0.16739821  0.33479741  0.37410318  1.0
  Ir  Ir8  1  0.66520259  0.83260179  0.37410318  1.0
  Ir  Ir9  1  0.83291845  0.16708155  0.62588119  1.0
  Ir  Ir10  1  0.83291845  0.66583391  0.62588119  1.0
  Ir  Ir11  1  0.33416609  0.16708155  0.62588119  1.0
  Ir  Ir12  1  0.83271797  0.16728203  0.87205477  1.0
  Ir  Ir13  1  0.83271797  0.66543295  0.87205477  1.0
  Ir  Ir14  1  0.33456705  0.16728203  0.87205477  1.0
  Ir  Ir15  1  0.16734324  0.83265676  0.12777210  1.0
  Ir  Ir16  1  0.16734324  0.33468647  0.12777210  1.0
  Ir  Ir17  1  0.66531353  0.83265676  0.12777210  1.0
  Ir  Ir18  1  0.33333300  0.66666700  0.25065948  1.0
  Ir  Ir19  1  0.66666700  0.33333300  0.74928813  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.25103256  1.0
  Ir  Ir21  1  0.00000000  0.00000000  0.74923124  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.50087716  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.00010156  1.0