data_Na2Mg2NiH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.24
_cell_length_b   8.29
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Mg2NiH6
_chemical_formula_sum   'Na8 Mg8 Ni4 H24'
_cell_volume   493.51
_cell_formula_units_Z   4
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  Na32  1  1.0  0.07  0.88  1.0
  Na  Na33  1  0.33  0.22  0.96  1.0
  Na  Na34  1  0.71  0.22  0.98  1.0
  Na  Na35  1  0.38  0.07  0.06  1.0
  Na  Na36  1  0.86  0.22  0.24  1.0
  Na  Na37  1  0.53  0.07  0.32  1.0
  Na  Na38  1  0.91  0.07  0.33  1.0
  Na  Na39  1  0.24  0.22  0.41  1.0
  Mg  Mg24  1  0.06  0.06  0.98  1.0
  Mg  Mg25  1  0.06  0.09  0.98  1.0
  Mg  Mg26  1  0.44  0.06  0.97  1.0
  Mg  Mg27  1  0.44  0.09  0.97  1.0
  Mg  Mg28  1  0.8  0.21  0.33  1.0
  Mg  Mg29  1  0.8  0.23  0.33  1.0
  Mg  Mg30  1  0.18  0.21  0.32  1.0
  Mg  Mg31  1  0.18  0.23  0.32  1.0
  Ni  Ni40  1  0.61  0.22  0.96  1.0
  Ni  Ni41  1  0.23  0.22  0.98  1.0
  Ni  Ni42  1  0.01  0.07  0.32  1.0
  Ni  Ni43  1  0.62  0.07  0.33  1.0
  H  H0  1  0.12  0.07  0.81  1.0
  H  H1  1  0.5  0.29  0.33  1.0
  H  H2  1  0.5  0.15  0.33  1.0
  H  H3  1  0.71  0.07  0.49  1.0
  H  H4  1  0.38  0.97  0.93  1.0
  H  H5  1  0.38  0.47  0.93  1.0
  H  H6  1  0.0  0.97  0.02  1.0
  H  H7  1  0.0  0.47  0.02  1.0
  H  H8  1  0.09  0.07  0.46  1.0
  H  H9  1  0.12  0.29  0.62  1.0
  H  H10  1  0.12  0.15  0.62  1.0
  H  H11  1  0.74  0.07  0.14  1.0
  H  H12  1  0.5  0.22  0.16  1.0
  H  H13  1  0.11  0.14  0.68  1.0
  H  H14  1  0.11  0.0  0.68  1.0
  H  H15  1  0.14  0.22  0.84  1.0
  H  H16  1  0.24  0.83  0.28  1.0
  H  H17  1  0.24  0.32  0.28  1.0
  H  H18  1  0.86  0.83  0.37  1.0
  H  H19  1  0.86  0.32  0.37  1.0
  H  H20  1  0.53  0.22  0.81  1.0
  H  H21  1  0.73  0.14  0.97  1.0
  H  H22  1  0.73  0.0  0.97  1.0
  H  H23  1  0.12  0.22  0.49  1.0

data_Na2Mg2NiH6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.3
_cell_length_b   8.29
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Mg2NiH6
_chemical_formula_sum   'Na8 Mg8 Ni4 H24'
_cell_volume   493.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.43  0.38  1.0
  Na  Na1  2  0.32  0.57  0.71  1.0
  Na  Na2  2  0.33  0.57  0.09  1.0
  Na  Na3  2  0.41  0.43  0.76  1.0
  Mg  Mg4  2  0.32  0.41  0.82  1.0
  Mg  Mg5  2  0.32  0.44  0.82  1.0
  Mg  Mg6  2  0.33  0.41  0.44  1.0
  Mg  Mg7  2  0.33  0.44  0.44  1.0
  Ni  Ni8  2  0.32  0.57  0.99  1.0
  Ni  Ni9  2  0.33  0.57  0.61  1.0
  H  H10  2  0.03  0.36  0.5  1.0
  H  H11  2  0.03  0.5  0.5  1.0
  H  H12  2  0.16  0.43  0.5  1.0
  H  H13  2  0.16  0.57  0.91  1.0
  H  H14  2  0.19  0.57  0.53  1.0
  H  H15  2  0.28  0.33  0.76  1.0
  H  H16  2  0.28  0.82  0.76  1.0
  H  H17  2  0.32  0.36  0.11  1.0
  H  H18  2  0.32  0.5  0.11  1.0
  H  H19  2  0.37  0.33  0.38  1.0
  H  H20  2  0.37  0.82  0.38  1.0
  H  H21  2  0.49  0.43  0.12  1.0

Na Na Na Na Na Na Na Na Mg Mg Mg Mg Mg Mg Mg Mg Ni Ni Ni Ni H H H H H H H H H H H H H H H H H H H H H H H H
Na Na Na Na Na Na Na Na Mg Mg Mg Mg Mg Mg Mg Mg Ni Ni Ni Ni H H H H H H H H H H H H H H H H H H H H H H H H 0 8 + o o 0 9 + o o 0 26 + - + 0 27 + o + 1 17 o o o 1 25 o o o 2 41 o o o 2 16 o o o 3 10 o o - 3 11 o o - 3 24 o - - 3 36 o - o 4 12 o o o 4 13 o o o 4 27 + o o 4 39 o o o 5 22 o o o 5 19 o o o 6 18 + o o 6 38 o - o 7 14 o o o 7 15 o o o 7 36 o - o 7 37 o o o 8 9 o o o 8 26 o - + 8 27 o o + 8 36 o - + 9 26 o - + 9 27 o o + 9 36 o - + 10 11 o o o 10 24 o - o 10 36 o - + 11 24 o - o 11 36 o - + 12 13 o o o 12 27 + o o 12 39 o o o 13 27 + o o 13 39 o o o 14 15 o o o 14 27 o o o 14 36 o - o 14 37 o o o 15 27 o o o 15 36 o - o 15 37 o o o 16 40 o o o 17 35 o o o 17 25 o o o 17 27 o o + 17 36 o - + 18 28 o o o 18 27 o o o 18 36 o - o 18 38 - - o 19 23 o o o 20 34 o o o 20 33 o o o 20 27 o o + 20 35 o o o 20 36 o - + 20 36 o - o 21 32 o o o 21 22 o o o 22 32 o o o 23 38 o - o 24 36 o o + 25 37 o o + 25 40 o o o 25 32 o o + 26 36 o o o 26 38 - o o 27 39 - o o 27 43 o o - 27 43 o o o 27 35 o o - 27 33 o o - 27 30 o o - 27 29 o o - 27 37 o o o 28 34 o o o 28 43 o o o 28 33 o o o 28 30 o o o 28 36 o - o 29 43 o o o 29 35 o o o 30 33 o o o 30 35 o o o 30 36 o - o 30 43 o o o 31 42 o o - 31 41 o o - 31 38 o - o 33 35 o o o 33 36 o - o 34 36 o - o 36 43 o + o 41 42 o o o 