data_[Na2Cu2H6]
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 [P-1]
_cell_length_a [4.5981]
_cell_length_b [5.5288]
_cell_length_c [5.5481]
_cell_angle_alpha [81.7858]
_cell_angle_beta [77.1605]
_cell_angle_gamma [76.6801]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCuH3]
_chemical_formula_sum '[Na2 Cu2 H6]'
_cell_volume [133.1897]
_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  1  0.0000  0.0000  0.0000  1.0
  Na  Na1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.2465  0.4763  0.0235  1.0
  H  H3  2  0.0360  0.6409  0.8008  1.0
  H  H4  2  0.4168  0.6917  0.1143  1.0
  H  H5  2  0.4497  0.0232  0.4470  1.0
]