# generated using pymatgen
data_NaCa(ZrH5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38328999
_cell_length_b   5.16867405
_cell_length_c   14.46744823
_cell_angle_alpha   90.00771843
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa(ZrH5)2
_chemical_formula_sum   'Na2 Ca2 Zr4 H20'
_cell_volume   252.99404715
_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
  Na  Na0  1  0.73764105  0.50007653  0.81345823  1.0
  Na  Na1  1  0.23764105  0.99992347  0.18654177  1.0
  Ca  Ca2  1  0.76253763  0.49978838  0.30530512  1.0
  Ca  Ca3  1  0.26253763  0.00021162  0.69469488  1.0
  Zr  Zr4  1  0.23543466  0.99992553  0.92895514  1.0
  Zr  Zr5  1  0.73543466  0.50007447  0.07104486  1.0
  Zr  Zr6  1  0.26411126  0.99991907  0.43194524  1.0
  Zr  Zr7  1  0.76411126  0.50008093  0.56805476  1.0
  H  H8  1  0.73473870  0.75862211  0.95277501  1.0
  H  H9  1  0.23473870  0.74137789  0.04722499  1.0
  H  H10  1  0.76521762  0.24980345  0.45128327  1.0
  H  H11  1  0.26521762  0.25019655  0.54871673  1.0
  H  H12  1  0.23726160  0.75721801  0.82610328  1.0
  H  H13  1  0.73726160  0.74278199  0.17389672  1.0
  H  H14  1  0.26321301  0.24484442  0.32863998  1.0
  H  H15  1  0.76321301  0.25515558  0.67136002  1.0
  H  H16  1  0.73726181  0.25725637  0.17386560  1.0
  H  H17  1  0.23726181  0.24274363  0.82613440  1.0
  H  H18  1  0.76320318  0.74538815  0.67129954  1.0
  H  H19  1  0.26320318  0.75461185  0.32870046  1.0
  H  H20  1  0.73468461  0.00006240  0.84758306  1.0
  H  H21  1  0.23468461  0.49993760  0.15241694  1.0
  H  H22  1  0.76476431  0.99969121  0.35065542  1.0
  H  H23  1  0.26476431  0.50030879  0.64934458  1.0
  H  H24  1  0.23472852  0.25843826  0.04724994  1.0
  H  H25  1  0.73472852  0.24156174  0.95275006  1.0
  H  H26  1  0.26520402  0.75015098  0.54873761  1.0
  H  H27  1  0.76520402  0.74984902  0.45126239  1.0