# generated using pymatgen
data_CaHf2H9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97920662
_cell_length_b   5.97920649
_cell_length_c   6.26125857
_cell_angle_alpha   90.27326949
_cell_angle_beta   89.72672592
_cell_angle_gamma   120.15814589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2H9
_chemical_formula_sum   'Ca2 Hf4 H18'
_cell_volume   193.54346702
_cell_formula_units_Z   2
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  0.99919272  0.33417590  0.25013450  1.0
  Ca  Ca1  1  0.33417590  0.99919272  0.24986550  1.0
  Hf  Hf2  1  0.64810049  0.99343818  0.75032072  1.0
  Hf  Hf3  1  0.35610528  0.35610528  0.75000000  1.0
  Hf  Hf4  1  0.99343818  0.64810049  0.74967928  1.0
  Hf  Hf5  1  0.66380740  0.66380740  0.25000000  1.0
  H  H6  1  0.00459248  0.00459248  0.75000000  1.0
  H  H7  1  0.97523921  0.97523921  0.25000000  1.0
  H  H8  1  0.66530238  0.32869875  0.83945095  1.0
  H  H9  1  0.66535974  0.35840866  0.29022541  1.0
  H  H10  1  0.35840866  0.66535974  0.20977459  1.0
  H  H11  1  0.32869875  0.66530238  0.66054905  1.0
  H  H12  1  0.31928592  0.92505868  0.89581077  1.0
  H  H13  1  0.62448782  0.67461258  0.90289595  1.0
  H  H14  1  0.06749115  0.39416309  0.89477719  1.0
  H  H15  1  0.33814290  0.36377924  0.42844105  1.0
  H  H16  1  0.00927408  0.68493223  0.43451569  1.0
  H  H17  1  0.65935357  0.94699755  0.42687981  1.0
  H  H18  1  0.68493223  0.00927408  0.06548431  1.0
  H  H19  1  0.36377924  0.33814290  0.07155895  1.0
  H  H20  1  0.94699755  0.65935357  0.07312019  1.0
  H  H21  1  0.67461258  0.62448782  0.59710405  1.0
  H  H22  1  0.92505868  0.31928592  0.60418923  1.0
  H  H23  1  0.39416309  0.06749115  0.60522281  1.0