data_[Cu8Ni4H8]
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 [P2_1/c]
_cell_length_a [6.5232]
_cell_length_b [5.0545]
_cell_length_c [5.0296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu2NiH2]
_chemical_formula_sum '[Cu8 Ni4 H8]'
_cell_volume [162.5602]
_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  0.0231  0.2424  0.4730  1.0
  Cu  Cu1  4  0.3134  0.5960  0.8529  1.0
  Ni  Ni2  4  0.3455  0.1053  0.8316  1.0
  H  H3  4  0.1564  0.6149  0.3293  1.0
  H  H4  4  0.4619  0.1410  0.1677  1.0
]