# generated using pymatgen
data_Y3Th(AlIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89395061
_cell_length_b   4.26090109
_cell_length_c   7.95889336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.02260927
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Th(AlIr)4
_chemical_formula_sum   'Y3 Th1 Al4 Ir4'
_cell_volume   233.78803016
_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  0.96548887  0.25000000  0.17967075  1.0
  Y  Y1  1  0.46559566  0.25000000  0.31347002  1.0
  Y  Y2  1  0.03456719  0.75000000  0.82209924  1.0
  Th  Th3  1  0.53215041  0.75000000  0.67878028  1.0
  Al  Al4  1  0.87206350  0.25000000  0.55801881  1.0
  Al  Al5  1  0.35660871  0.25000000  0.94456017  1.0
  Al  Al6  1  0.13457290  0.75000000  0.43591033  1.0
  Al  Al7  1  0.63819026  0.75000000  0.06534247  1.0
  Ir  Ir8  1  0.72849545  0.25000000  0.87735625  1.0
  Ir  Ir9  1  0.23678436  0.25000000  0.62183234  1.0
  Ir  Ir10  1  0.26779956  0.75000000  0.12117027  1.0
  Ir  Ir11  1  0.76768314  0.75000000  0.38178908  1.0