# generated using pymatgen
data_Tm3Th(B2Ir5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99940860
_cell_length_b   10.99940837
_cell_length_c   10.99940892
_cell_angle_alpha   28.62845529
_cell_angle_beta   28.62845566
_cell_angle_gamma   28.62845447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Th(B2Ir5)2
_chemical_formula_sum   'Tm3 Th1 B4 Ir10'
_cell_volume   270.06830111
_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
  Tm  Tm0  1  0.95021252  0.95021252  0.95021252  1.0
  Tm  Tm1  1  0.85006132  0.85006132  0.85006132  1.0
  Tm  Tm2  1  0.04809214  0.04809214  0.04809214  1.0
  Th  Th3  1  0.15121847  0.15121847  0.15121847  1.0
  B  B4  1  0.61802885  0.61802885  0.61802885  1.0
  B  B5  1  0.71603440  0.71603440  0.71603440  1.0
  B  B6  1  0.38244315  0.38244315  0.38244315  1.0
  B  B7  1  0.28367998  0.28367998  0.28367998  1.0
  Ir  Ir8  1  0.40691477  0.89888609  0.40691477  1.0
  Ir  Ir9  1  0.89888609  0.40691477  0.40691477  1.0
  Ir  Ir10  1  0.49975651  0.49975651  0.00035640  1.0
  Ir  Ir11  1  0.49975651  0.00035640  0.49975651  1.0
  Ir  Ir12  1  0.00035640  0.49975651  0.49975651  1.0
  Ir  Ir13  1  0.50043459  0.50043459  0.50043459  1.0
  Ir  Ir14  1  0.59410984  0.09898987  0.59410984  1.0
  Ir  Ir15  1  0.59410984  0.59410984  0.09898987  1.0
  Ir  Ir16  1  0.09898987  0.59410984  0.59410984  1.0
  Ir  Ir17  1  0.40691477  0.40691477  0.89888609  1.0