data_[Ti8Ga4H4]
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 [4.1858]
_cell_length_b [13.9235]
_cell_length_c [3.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti2GaH]
_chemical_formula_sum '[Ti8 Ga4 H4]'
_cell_volume [203.0363]
_cell_formula_units_Z [4]
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  0.3181  0.5000  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.0000  0.1527  0.0000  1
  H  H4  4  0.0000  0.4450  0.5000  1
]