data_[Ti4Co4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [5.5329]
_cell_length_b [5.5329]
_cell_length_c [5.5932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [TiCoH4]
_chemical_formula_sum '[Ti4 Co4 H16]'
_cell_volume [171.2229]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.5015  1
  Co  Co1  4  0.0000  0.0000  0.9828  1
  H  H2  8  0.0000  0.2991  0.0284  1
  H  H3  8  0.0000  0.3266  0.4794  1
]