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 [P2_1/m]
_cell_length_a [4.1956]
_cell_length_b [4.6074]
_cell_length_c [5.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCuH3]
_chemical_formula_sum '[Na2 Cu2 H6]'
_cell_volume [102.9547]
_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  0.2209  0.2500  0.3930  1.0
  Cu  Cu1  2  0.4379  0.7500  0.0838  1.0
  H  H2  4  0.2925  0.5102  0.8867  1.0
  H  H3  2  0.2757  0.7500  0.3674  1.0
]