data_[Na3Mg2Mn1H9]
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 [P-3m1]
_cell_length_a [5.2433]
_cell_length_b [5.2433]
_cell_length_c [6.3385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3Mg2MnH9]
_chemical_formula_sum '[Na3 Mg2 Mn1 H9]'
_cell_volume [150.9112]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3351  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.3333  0.6667  0.8210  1.0
  Mn  Mn3  1  0.0000  0.0000  0.5000  1.0
  H  H4  6  0.1539  0.3078  0.6493  1.0
  H  H5  3  0.0000  0.5000  0.0000  1.0
]