data_[Na12Cu8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9589]
_cell_length_b [14.8796]
_cell_length_c [6.7059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Na3(CuH2)2]
_chemical_formula_sum '[Na12 Cu8 H16]'
_cell_volume [494.8109]
_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  8  0.0000  0.1061  0.9275  1.0
  Na  Na1  4  0.0000  0.2500  0.4580  1.0
  Cu  Cu2  8  0.0000  0.0472  0.3517  1.0
  H  H3  8  0.0000  0.0662  0.6021  1.0
  H  H4  8  0.2500  0.1054  0.2500  1.0
]