# generated using pymatgen
data_Ca3Nd(NiH6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01213823
_cell_length_b   7.01213741
_cell_length_c   5.06191977
_cell_angle_alpha   89.99998109
_cell_angle_beta   89.99997786
_cell_angle_gamma   137.66401756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Nd(NiH6)2
_chemical_formula_sum   'Ca3 Nd1 Ni2 H12'
_cell_volume   167.62501685
_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  0.64439386  0.35560614  1.00000000  1.0
  Ca  Ca1  1  0.85731415  0.14268585  0.50000000  1.0
  Ca  Ca2  1  0.35945118  0.64054882  0.00000000  1.0
  Nd  Nd3  1  0.14218557  0.85781443  0.50000000  1.0
  Ni  Ni4  1  0.50051567  0.49948433  0.50000000  1.0
  Ni  Ni5  1  0.00018073  0.99981927  1.00000000  1.0
  H  H6  1  0.00086979  0.50384464  0.74856359  1.0
  H  H7  1  0.49615536  0.99913021  0.25143641  1.0
  H  H8  1  0.00084742  0.50382361  0.25145898  1.0
  H  H9  1  0.49617639  0.99915258  0.74854102  1.0
  H  H10  1  0.38162260  0.61837740  0.50000000  1.0
  H  H11  1  0.88114797  0.11885203  0.00000000  1.0
  H  H12  1  0.61939712  0.38060288  0.50000000  1.0
  H  H13  1  0.11892386  0.88107614  1.00000000  1.0
  H  H14  1  0.24951839  0.24910910  0.74831835  1.0
  H  H15  1  0.75089090  0.75048161  0.25168165  1.0
  H  H16  1  0.24912274  0.24870871  0.25117906  1.0
  H  H17  1  0.75129129  0.75087726  0.74882094  1.0