data_[Nb4Co12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8431]
_cell_length_b [3.4689]
_cell_length_c [5.9123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbCo3H]
_chemical_formula_sum '[Nb4 Co12 H4]'
_cell_volume [217.0826]
_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
[
  Nb  Nb0  4  0.1409  0.5000  0.2674  1
  Co  Co1  4  0.0632  0.0000  0.8947  1
  Co  Co2  4  0.0982  0.0000  0.5182  1
  Co  Co3  4  0.2031  0.5000  0.8252  1
  H  H4  4  0.2057  0.0000  0.8442  1
]