data_[Na2Mg4Mn2H16]
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
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8741]
_cell_length_b [2.9900]
_cell_length_c [6.2866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMg2MnH8]
_chemical_formula_sum '[Na2 Mg4 Mn2 H16]'
_cell_volume [193.7495]
_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  0.5000  1.0
  Mg  Mg1  4  0.2040  0.5000  0.2321  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.0262  0.5000  0.8820  1.0
  H  H4  4  0.0875  0.0000  0.2596  1.0
  H  H5  4  0.1431  0.0000  0.9499  1.0
  H  H6  4  0.1797  0.5000  0.5960  1.0
]