# generated using pymatgen
data_Li3H6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73026666
_cell_length_b   8.44830820
_cell_length_c   8.48957194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3H6Ir
_chemical_formula_sum   'Li12 H24 Ir4'
_cell_volume   339.26664624
_cell_formula_units_Z   4
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
  Li  Li0  1  0.25000000  0.54166998  0.86817087  1
  Li  Li1  1  0.25000000  0.04166998  0.63182913  1
  Li  Li2  1  0.75000000  0.45833002  0.13182913  1
  Li  Li3  1  0.75000000  0.95833002  0.36817087  1
  Li  Li4  1  0.25000000  0.89503426  0.97644615  1
  Li  Li5  1  0.25000000  0.39503426  0.52355385  1
  Li  Li6  1  0.75000000  0.10496574  0.02355385  1
  Li  Li7  1  0.75000000  0.60496574  0.47644615  1
  Li  Li8  1  0.25000000  0.72805614  0.25669678  1
  Li  Li9  1  0.25000000  0.22805614  0.24330322  1
  Li  Li10  1  0.75000000  0.27194386  0.74330322  1
  Li  Li11  1  0.75000000  0.77194386  0.75669678  1
  H  H12  1  0.49802876  0.84423006  0.52904692  1
  H  H13  1  0.00197124  0.34423006  0.97095308  1
  H  H14  1  -0.00197124  0.15576994  0.47095308  1
  H  H15  1  0.50197124  0.65576994  0.02904692  1
  H  H16  1  0.50197124  0.15576994  0.47095308  1
  H  H17  1  -0.00197124  0.65576994  0.02904692  1
  H  H18  1  0.00197124  0.84423006  0.52904692  1
  H  H19  1  0.49802876  0.34423006  0.97095308  1
  H  H20  1  0.49386221  0.60427578  0.67658586  1
  H  H21  1  0.00613779  0.10427578  0.82341414  1
  H  H22  1  0.99386221  0.39572422  0.32341414  1
  H  H23  1  0.50613779  0.89572422  0.17658586  1
  H  H24  1  0.50613779  0.39572422  0.32341414  1
  H  H25  1  0.99386221  0.89572422  0.17658586  1
  H  H26  1  0.00613779  0.60427578  0.67658586  1
  H  H27  1  0.49386221  0.10427578  0.82341414  1
  H  H28  1  0.25000000  0.61287742  0.44150270  1
  H  H29  1  0.25000000  0.11287742  0.05849730  1
  H  H30  1  0.75000000  0.38712258  0.55849730  1
  H  H31  1  0.75000000  0.88712258  0.94150270  1
  H  H32  1  0.25000000  0.83239486  0.76397428  1
  H  H33  1  0.25000000  0.33239486  0.73602572  1
  H  H34  1  0.75000000  0.16760514  0.23602572  1
  H  H35  1  0.75000000  0.66760514  0.26397428  1
  Ir  Ir36  1  0.25000000  0.72489091  0.60211197  1
  Ir  Ir37  1  0.25000000  0.22489091  0.89788803  1
  Ir  Ir38  1  0.75000000  0.27510909  0.39788803  1
  Ir  Ir39  1  0.75000000  0.77510909  0.10211197  1
