data_[Cu4Ni4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [4.9215]
_cell_length_b [10.2429]
_cell_length_c [4.5046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuNiH4]
_chemical_formula_sum '[Cu4 Ni4 H16]'
_cell_volume [191.0463]
_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
[
  Cu  Cu0  4  0.0000  0.0791  0.2500  1.0
  Ni  Ni1  4  0.0000  0.4412  0.7500  1.0
  H  H2  8  0.2145  0.6730  0.2443  1.0
  H  H3  8  0.2196  0.4495  0.1988  1.0
]