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 [Pmm2]
_cell_length_a [2.9608]
_cell_length_b [6.0208]
_cell_length_c [7.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ti3ZnH]
_chemical_formula_sum '[Ti6 Zn2 H2]'
_cell_volume [136.1418]
_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  0.5000  0.2568  0.1917  1.0
  Ti  Ti1  2  0.5000  0.2609  0.7006  1.0
  Ti  Ti2  1  0.0000  0.0000  0.4361  1.0
  Ti  Ti3  1  0.0000  0.0000  0.9334  1.0
  Zn  Zn4  1  0.0000  0.5000  0.4426  1.0
  Zn  Zn5  1  0.0000  0.5000  0.9458  1.0
  H  H6  1  0.0000  0.0000  0.1872  1.0
  H  H7  1  0.5000  0.0000  0.5787  1.0
]