data_[Co2Ni6H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8280]
_cell_length_b [2.6363]
_cell_length_c [6.8649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Co(NiH2)3]
_chemical_formula_sum '[Co2 Ni6 H12]'
_cell_volume [119.6061]
_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
[
  Co  Co0  2  0.0659  0.7500  0.6877  1.0
  Ni  Ni1  2  0.1614  0.7500  0.0939  1.0
  Ni  Ni2  2  0.3164  0.2500  0.4922  1.0
  Ni  Ni3  2  0.4652  0.7500  0.8285  1.0
  H  H4  2  0.0860  0.2500  0.8876  1.0
  H  H5  2  0.0892  0.7500  0.4454  1.0
  H  H6  2  0.1753  0.2500  0.2497  1.0
  H  H7  2  0.2687  0.2500  0.7282  1.0
  H  H8  2  0.3948  0.7500  0.0553  1.0
  H  H9  2  0.4689  0.7500  0.5893  1.0
]