data_[Na4Mn2Nb2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0339]
_cell_length_b [5.7603]
_cell_length_c [6.8579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Na2MnNbH6]
_chemical_formula_sum '[Na4 Mn2 Nb2 H12]'
_cell_volume [185.3040]
_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  0.1304  0.9061  0.4143  1
  Na  Na1  2  0.3947  0.5390  0.6399  1
  Mn  Mn2  2  0.4631  0.1482  0.9425  1
  Nb  Nb3  2  0.0589  0.4135  0.1250  1
  H  H4  2  0.0122  0.7397  0.6711  1
  H  H5  2  0.1243  0.0887  0.7200  1
  H  H6  2  0.2153  0.1105  0.0936  1
  H  H7  2  0.2215  0.7206  0.1169  1
  H  H8  2  0.2970  0.4207  0.9409  1
  H  H9  2  0.4068  0.4129  0.3545  1
]