# generated using pymatgen
data_Ca3Yb(ZrH5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45473525
_cell_length_b   5.14769663
_cell_length_c   14.15220739
_cell_angle_alpha   90.00113032
_cell_angle_beta   90.00010376
_cell_angle_gamma   89.99977166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Yb(ZrH5)4
_chemical_formula_sum   'Ca3 Yb1 Zr4 H20'
_cell_volume   251.68185193
_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  0.24947792  0.00080438  0.18579285  1.0
  Ca  Ca1  1  0.75050128  0.50078669  0.31382469  1.0
  Ca  Ca2  1  0.25044596  0.99918670  0.68833157  1.0
  Yb  Yb3  1  0.74953880  0.49917086  0.81177393  1.0
  Zr  Zr4  1  0.24936886  0.99946007  0.93142151  1.0
  Zr  Zr5  1  0.74929081  0.50054633  0.06600135  1.0
  Zr  Zr6  1  0.25066985  0.00054238  0.43367692  1.0
  Zr  Zr7  1  0.75067602  0.49947344  0.56854089  1.0
  H  H8  1  0.74925486  0.75049563  0.94864788  1.0
  H  H9  1  0.24922828  0.74778512  0.04777945  1.0
  H  H10  1  0.75075491  0.24794765  0.45204161  1.0
  H  H11  1  0.25074436  0.25271159  0.55039171  1.0
  H  H12  1  0.24951518  0.75043130  0.82405892  1.0
  H  H13  1  0.74938932  0.74445927  0.17555208  1.0
  H  H14  1  0.25059616  0.24449297  0.32421707  1.0
  H  H15  1  0.75053795  0.25461701  0.67722124  1.0
  H  H16  1  0.74938213  0.25701698  0.17568724  1.0
  H  H17  1  0.24952067  0.24805131  0.82392548  1.0
  H  H18  1  0.75053519  0.74393494  0.67735265  1.0
  H  H19  1  0.25058745  0.75699772  0.32409112  1.0
  H  H20  1  0.74937747  0.99931319  0.83987531  1.0
  H  H21  1  0.24925788  0.50067085  0.15578079  1.0
  H  H22  1  0.75071215  0.00067517  0.34404616  1.0
  H  H23  1  0.25064632  0.49935079  0.66110958  1.0
  H  H24  1  0.24923351  0.25326621  0.04760465  1.0
  H  H25  1  0.74925877  0.24841765  0.94881737  1.0
  H  H26  1  0.25074683  0.74626450  0.55022769  1.0
  H  H27  1  0.75075411  0.75312628  0.45220929  1.0