# generated using pymatgen
data_CaY(NiH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59688071
_cell_length_b   4.76128817
_cell_length_c   6.07972027
_cell_angle_alpha   89.99990839
_cell_angle_beta   107.23481927
_cell_angle_gamma   90.00040583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY(NiH4)2
_chemical_formula_sum   'Ca1 Y1 Ni2 H8'
_cell_volume   99.44484022
_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  0.13423724  0.24999571  0.26879893  1.0
  Y  Y1  1  0.86781656  0.75000094  0.73566647  1.0
  Ni  Ni2  1  0.59342143  0.75000050  0.18749388  1.0
  Ni  Ni3  1  0.40511609  0.25000006  0.80797876  1.0
  H  H4  1  0.49913466  0.99748064  0.99856532  1.0
  H  H5  1  0.49913443  0.50251991  0.99856505  1.0
  H  H6  1  0.08158886  0.75000206  0.16336558  1.0
  H  H7  1  0.69136364  0.98169817  0.38321246  1.0
  H  H8  1  0.69136281  0.51830584  0.38321238  1.0
  H  H9  1  0.31340855  0.50326925  0.62653392  1.0
  H  H10  1  0.31340610  0.99672693  0.62653423  1.0
  H  H11  1  0.91001064  0.24999901  0.82007001  1.0