data_[Ti6Zn2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7225]
_cell_length_b [5.5397]
_cell_length_c [5.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti3ZnH]
_chemical_formula_sum '[Ti6 Zn2 H2]'
_cell_volume [134.7092]
_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  0.2445  0.0015  0.8455  1.0
  Ti  Ti1  2  0.2457  0.2500  0.3704  1.0
  Zn  Zn2  2  0.2477  0.7500  0.3449  1.0
  H  H3  2  0.4652  0.2500  0.0630  1.0
]