data_[Li2Mg2Ni2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [3.3069]
_cell_length_b [3.3069]
_cell_length_c [10.3213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiMgNiH4]
_chemical_formula_sum '[Li2 Mg2 Ni2 H8]'
_cell_volume [112.8729]
_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
[
  Li  Li0  2  0.0000  0.0000  0.6354  1.0
  Mg  Mg1  2  0.0000  0.0000  0.3595  1.0
  Ni  Ni2  2  0.0000  0.0000  0.9932  1.0
  H  H3  4  0.0000  0.5000  0.0058  1.0
  H  H4  2  0.0000  0.0000  0.1664  1.0
  H  H5  2  0.0000  0.0000  0.8339  1.0
]