data_[Ti12Co6H2]
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 [P2_1/c]
_cell_length_a [5.1258]
_cell_length_b [6.4992]
_cell_length_c [9.5340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti6Co3H]
_chemical_formula_sum '[Ti12 Co6 H2]'
_cell_volume [271.5187]
_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
[
  Ti  Ti0  4  0.0761  0.0541  0.2463  1
  Ti  Ti1  4  0.2023  0.7189  0.0655  1
  Ti  Ti2  4  0.3940  0.1481  0.0470  1
  Co  Co3  4  0.3442  0.0962  0.7168  1
  Co  Co4  2  0.5000  0.0000  0.5000  1
  H  H5  2  0.0000  0.0000  0.0000  1
]