# generated using pymatgen
data_SrTh5Ir18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34979028
_cell_length_b   5.34978951
_cell_length_c   17.77634946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTh5Ir18
_chemical_formula_sum   'Sr1 Th5 Ir18'
_cell_volume   440.60218086
_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
  Sr  Sr0  1  0.33333300  0.66666700  0.53854677  1.0
  Th  Th1  1  0.33333300  0.66666700  0.95554378  1.0
  Th  Th2  1  0.66666700  0.33333300  0.04293327  1.0
  Th  Th3  1  0.66666700  0.33333300  0.46125194  1.0
  Th  Th4  1  0.33333300  0.66666700  0.74120554  1.0
  Th  Th5  1  0.66666700  0.33333300  0.25180229  1.0
  Ir  Ir6  1  0.16651126  0.83348874  0.37197199  1.0
  Ir  Ir7  1  0.16651126  0.33302252  0.37197199  1.0
  Ir  Ir8  1  0.66697748  0.83348874  0.37197199  1.0
  Ir  Ir9  1  0.83354606  0.16645394  0.62901327  1.0
  Ir  Ir10  1  0.83354606  0.66709012  0.62901327  1.0
  Ir  Ir11  1  0.33290988  0.16645394  0.62901327  1.0
  Ir  Ir12  1  0.83262210  0.16737790  0.87293824  1.0
  Ir  Ir13  1  0.83262210  0.66524221  0.87293824  1.0
  Ir  Ir14  1  0.33475779  0.16737790  0.87293824  1.0
  Ir  Ir15  1  0.16748556  0.83251444  0.12758996  1.0
  Ir  Ir16  1  0.16748556  0.33497313  0.12758996  1.0
  Ir  Ir17  1  0.66502687  0.83251444  0.12758996  1.0
  Ir  Ir18  1  0.33333300  0.66666700  0.25014990  1.0
  Ir  Ir19  1  0.66666700  0.33333300  0.75111438  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.24954346  1.0
  Ir  Ir21  1  0.00000000  0.00000000  0.75158795  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.50127628  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.00050405  1.0