# generated using pymatgen
data_Y5ThIr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29623687
_cell_length_b   5.29623680
_cell_length_c   17.48952896
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5ThIr18
_chemical_formula_sum   'Y5 Th1 Ir18'
_cell_volume   424.85776906
_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  0.96101434  1.0
  Y  Y1  1  0.66666700  0.33333300  0.04218462  1.0
  Y  Y2  1  0.66666700  0.33333300  0.45781538  1.0
  Y  Y3  1  0.33333300  0.66666700  0.53898566  1.0
  Y  Y4  1  0.66666700  0.33333300  0.25000000  1.0
  Th  Th5  1  0.33333300  0.66666700  0.75000000  1.0
  Ir  Ir6  1  0.16697692  0.83302308  0.37292393  1.0
  Ir  Ir7  1  0.16697692  0.33395383  0.37292393  1.0
  Ir  Ir8  1  0.66604617  0.83302308  0.37292393  1.0
  Ir  Ir9  1  0.83292870  0.16707130  0.62560799  1.0
  Ir  Ir10  1  0.83292870  0.66585740  0.62560799  1.0
  Ir  Ir11  1  0.33414260  0.16707130  0.62560799  1.0
  Ir  Ir12  1  0.83292870  0.16707130  0.87439201  1.0
  Ir  Ir13  1  0.83292870  0.66585740  0.87439201  1.0
  Ir  Ir14  1  0.33414260  0.16707130  0.87439201  1.0
  Ir  Ir15  1  0.16697692  0.83302308  0.12707607  1.0
  Ir  Ir16  1  0.16697692  0.33395383  0.12707607  1.0
  Ir  Ir17  1  0.66604617  0.83302308  0.12707607  1.0
  Ir  Ir18  1  0.33333300  0.66666700  0.25000000  1.0
  Ir  Ir19  1  0.66666700  0.33333300  0.75000000  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.25000000  1.0
  Ir  Ir21  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.49972912  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.00027088  1.0