data_[Na4Mn4H12]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.2010]
_cell_length_b [3.2010]
_cell_length_c [20.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaMnH3]
_chemical_formula_sum '[Na4 Mn4 H12]'
_cell_volume [211.2061]
_cell_formula_units_Z [4]
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  4  0.0000  0.5000  0.6289  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.2500  1
  H  H3  8  0.0000  0.2563  0.0653  1
  H  H4  4  0.0000  0.0000  0.2915  1
]