data_[Na2Mg2H6]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2590]
_cell_length_b [5.7240]
_cell_length_c [7.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaMgH3]
_chemical_formula_sum '[Na2 Mg2 H6]'
_cell_volume [140.2074]
_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  0.6067  1.0
  Mg  Mg1  2  0.0000  0.0000  0.1693  1.0
  H  H2  4  0.0000  0.2422  0.3286  1.0
  H  H3  2  0.0000  0.5000  0.9599  1.0
]