data_[Ti2Co6H2]
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/m]
_cell_length_a [4.1580]
_cell_length_b [5.1112]
_cell_length_c [4.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiCo3H]
_chemical_formula_sum '[Ti2 Co6 H2]'
_cell_volume [97.6433]
_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  2  0.2357  0.7500  0.3605  1.0
  Co  Co1  4  0.2456  0.5016  0.8391  1.0
  Co  Co2  2  0.2459  0.2500  0.3236  1.0
  H  H3  2  0.4873  0.2500  0.0054  1.0
]