# generated using pymatgen
data_CsZr2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69042182
_cell_length_b   4.69042285
_cell_length_c   9.89382962
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsZr2(H6Ir)2
_chemical_formula_sum   'Cs1 Zr2 H12 Ir2'
_cell_volume   188.50332691
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.39023604  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.60976396  1.0
  H  H3  1  0.16600260  0.83399740  0.40673066  1.0
  H  H4  1  0.66799380  0.83399740  0.40673066  1.0
  H  H5  1  0.16600260  0.33200620  0.40673066  1.0
  H  H6  1  0.83399740  0.16600260  0.59326934  1.0
  H  H7  1  0.33200620  0.16600260  0.59326934  1.0
  H  H8  1  0.83399740  0.66799380  0.59326934  1.0
  H  H9  1  0.49715020  0.99430141  0.79335649  1.0
  H  H10  1  0.49715020  0.50284980  0.79335649  1.0
  H  H11  1  0.00569859  0.50284980  0.79335649  1.0
  H  H12  1  0.50284980  0.00569859  0.20664351  1.0
  H  H13  1  0.50284980  0.49715020  0.20664351  1.0
  H  H14  1  0.99430141  0.49715020  0.20664351  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.69790162  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.30209838  1.0