data_[Ti10Ga4H4]
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 [C2/m]
_cell_length_a [9.5858]
_cell_length_b [3.7670]
_cell_length_c [6.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5(GaH)2]
_chemical_formula_sum '[Ti10 Ga4 H4]'
_cell_volume [236.1011]
_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  0.1415  0.0000  0.4318  1
  Ti  Ti1  4  0.2211  0.5000  0.1496  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.0665  0.5000  0.7187  1
  H  H4  4  0.1806  0.0000  0.1255  1
]