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 [P2_1/c]
_cell_length_a [6.9711]
_cell_length_b [4.2174]
_cell_length_c [9.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.8595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbCo3H]
_chemical_formula_sum '[Nb4 Co12 H4]'
_cell_volume [203.9423]
_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  0.2503  0.7399  0.1971  1.0
  Co  Co1  4  0.0034  0.7485  0.8327  1.0
  Co  Co2  4  0.2500  0.2410  0.0337  1.0
  Co  Co3  4  0.4973  0.7483  0.5794  1.0
  H  H4  4  0.2470  0.0219  0.3784  1.0
]