data_[Ti14Ga6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0573]
_cell_length_b [20.5178]
_cell_length_c [3.9617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti7Ga3H2]
_chemical_formula_sum '[Ti14 Ga6 H4]'
_cell_volume [329.8050]
_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  0.0000  0.0969  0.5000  1.0
  Ti  Ti1  4  0.0000  0.2024  0.0000  1.0
  Ti  Ti2  4  0.0000  0.3963  0.0000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  4  0.0000  0.3025  0.5000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.5000  1.0
  H  H6  4  0.0000  0.1006  0.0000  1.0
]