# generated using pymatgen
data_CaYb2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86826775
_cell_length_b   4.86826821
_cell_length_c   8.09994618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2(H6Ir)2
_chemical_formula_sum   'Ca1 Yb2 H12 Ir2'
_cell_volume   166.25002959
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb1  1  0.66666700  0.33333300  0.36519662  1.0
  Yb  Yb2  1  0.33333300  0.66666700  0.63480338  1.0
  H  H3  1  0.17064734  0.82935266  0.37157102  1.0
  H  H4  1  0.65870533  0.82935266  0.37157102  1.0
  H  H5  1  0.17064734  0.34129467  0.37157102  1.0
  H  H6  1  0.82935266  0.17064734  0.62842898  1.0
  H  H7  1  0.34129467  0.17064734  0.62842898  1.0
  H  H8  1  0.82935266  0.65870533  0.62842898  1.0
  H  H9  1  0.50801005  0.01602111  0.86796196  1.0
  H  H10  1  0.50801005  0.49198995  0.86796196  1.0
  H  H11  1  0.98397889  0.49198995  0.86796196  1.0
  H  H12  1  0.49198995  0.98397889  0.13203804  1.0
  H  H13  1  0.49198995  0.50801005  0.13203804  1.0
  H  H14  1  0.01602111  0.50801005  0.13203804  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.74594247  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.25405753  1.0