data_[Na3Cu1Ni2H9]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8514]
_cell_length_b [4.8514]
_cell_length_c [5.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3CuNi2H9]
_chemical_formula_sum '[Na3 Cu1 Ni2 H9]'
_cell_volume [121.0850]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3333  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  2  0.3333  0.6667  0.8367  1.0
  H  H4  6  0.1741  0.3482  0.6756  1.0
  H  H5  3  0.0000  0.5000  0.0000  1.0
]