# generated using pymatgen
data_CaYb(ZrH5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45233140
_cell_length_b   5.13128826
_cell_length_c   14.09172317
_cell_angle_alpha   89.99933093
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb(ZrH5)2
_chemical_formula_sum   'Ca2 Yb2 Zr4 H20'
_cell_volume   249.63357337
_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  0.75966102  0.49949942  0.31190952  1.0
  Ca  Ca1  1  0.25966102  0.00050058  0.68809048  1.0
  Yb  Yb2  1  0.74052721  0.50052297  0.81216851  1.0
  Yb  Yb3  1  0.24052721  0.99947703  0.18783149  1.0
  Zr  Zr4  1  0.23711140  0.00034796  0.93250560  1.0
  Zr  Zr5  1  0.73711140  0.49965204  0.06749440  1.0
  Zr  Zr6  1  0.26265773  0.99967325  0.43226460  1.0
  Zr  Zr7  1  0.76265773  0.50032675  0.56773540  1.0
  H  H8  1  0.73574319  0.75169212  0.94980420  1.0
  H  H9  1  0.23574319  0.74830788  0.05019580  1.0
  H  H10  1  0.76425288  0.24623220  0.45060788  1.0
  H  H11  1  0.26425288  0.25376780  0.54939212  1.0
  H  H12  1  0.23937763  0.75177382  0.82469043  1.0
  H  H13  1  0.73937763  0.74822618  0.17530957  1.0
  H  H14  1  0.26054320  0.24407058  0.32304440  1.0
  H  H15  1  0.76054320  0.25592942  0.67695560  1.0
  H  H16  1  0.73938378  0.25080779  0.17522783  1.0
  H  H17  1  0.23938378  0.24919221  0.82477217  1.0
  H  H18  1  0.76054906  0.74499373  0.67687682  1.0
  H  H19  1  0.26054906  0.75500627  0.32312318  1.0
  H  H20  1  0.73678226  0.00044650  0.84023380  1.0
  H  H21  1  0.23678226  0.49955350  0.15976620  1.0
  H  H22  1  0.76341597  0.99957177  0.33927959  1.0
  H  H23  1  0.26341597  0.50042823  0.66072041  1.0
  H  H24  1  0.23574400  0.25100040  0.05030959  1.0
  H  H25  1  0.73574400  0.24899960  0.94969041  1.0
  H  H26  1  0.26425067  0.74687187  0.54949874  1.0
  H  H27  1  0.76425067  0.75312813  0.45050126  1.0