# generated using pymatgen
data_CaNd(NiH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67498197
_cell_length_b   4.83512621
_cell_length_c   6.16953660
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.30224193
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd(NiH4)2
_chemical_formula_sum   'Ca1 Nd1 Ni2 H8'
_cell_volume   104.66581466
_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  0.86553195  0.75000000  0.23113039  1.0
  Nd  Nd1  1  0.13024807  0.24999900  0.76149251  1.0
  Ni  Ni2  1  0.40535530  0.24999900  0.31236935  1.0
  Ni  Ni3  1  0.59645448  0.75000000  0.68932789  1.0
  H  H4  1  0.31185876  0.01614205  0.12344474  1.0
  H  H5  1  0.31185876  0.48385695  0.12344474  1.0
  H  H6  1  0.91573401  0.24999900  0.33053514  1.0
  H  H7  1  0.50068686  0.00371412  0.50136411  1.0
  H  H8  1  0.50068686  0.49628688  0.50136411  1.0
  H  H9  1  0.08597050  0.75000000  0.67347072  1.0
  H  H10  1  0.68780722  0.50978577  0.87602664  1.0
  H  H11  1  0.68780722  0.99021323  0.87602664  1.0