data_[Na2Mg2Ni2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.1350]
_cell_length_b [3.1350]
_cell_length_c [13.3249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NaMgNiH4]
_chemical_formula_sum '[Na2 Mg2 Ni2 H8]'
_cell_volume [130.9586]
_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  2  0.0000  0.0000  0.6396  1.0
  Mg  Mg1  2  0.0000  0.0000  0.3519  1.0
  Ni  Ni2  2  0.0000  0.0000  0.9589  1.0
  H  H3  4  0.0000  0.5000  0.4993  1.0
  H  H4  2  0.0000  0.0000  0.2125  1.0
  H  H5  2  0.0000  0.0000  0.8386  1.0
]