# generated using pymatgen
data_YbTh5Ir18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33280118
_cell_length_b   5.33280049
_cell_length_c   17.69942021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbTh5Ir18
_chemical_formula_sum   'Yb1 Th5 Ir18'
_cell_volume   435.91353591
_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
  Yb  Yb0  1  0.33333300  0.66666700  0.54013587  1.0
  Th  Th1  1  0.33333300  0.66666700  0.95498387  1.0
  Th  Th2  1  0.66666700  0.33333300  0.04304975  1.0
  Th  Th3  1  0.66666700  0.33333300  0.46432672  1.0
  Th  Th4  1  0.33333300  0.66666700  0.73897025  1.0
  Th  Th5  1  0.66666700  0.33333300  0.25387441  1.0
  Ir  Ir6  1  0.16715815  0.83284185  0.37451106  1.0
  Ir  Ir7  1  0.16715815  0.33431629  0.37451106  1.0
  Ir  Ir8  1  0.66568371  0.83284185  0.37451106  1.0
  Ir  Ir9  1  0.83318922  0.16681078  0.62582574  1.0
  Ir  Ir10  1  0.83318922  0.66637644  0.62582574  1.0
  Ir  Ir11  1  0.33362356  0.16681078  0.62582574  1.0
  Ir  Ir12  1  0.83264933  0.16735067  0.87175124  1.0
  Ir  Ir13  1  0.83264933  0.66529666  0.87175124  1.0
  Ir  Ir14  1  0.33470334  0.16735067  0.87175124  1.0
  Ir  Ir15  1  0.16741457  0.83258543  0.12824990  1.0
  Ir  Ir16  1  0.16741457  0.33483014  0.12824990  1.0
  Ir  Ir17  1  0.66516986  0.83258543  0.12824990  1.0
  Ir  Ir18  1  0.33333300  0.66666700  0.25117582  1.0
  Ir  Ir19  1  0.66666700  0.33333300  0.74958294  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.25122955  1.0
  Ir  Ir21  1  0.00000000  0.00000000  0.74980215  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.50160565  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.00024920  1.0