data_[Ti10Ga10H4]
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 [9.2059]
_cell_length_b [3.7210]
_cell_length_c [10.3870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5Ga5H2]
_chemical_formula_sum '[Ti10 Ga10 H4]'
_cell_volume [335.0998]
_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  0.0246  0.5000  0.7960  1
  Ti  Ti1  4  0.1652  0.0000  0.3989  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.1631  0.0000  0.6675  1
  Ga  Ga4  4  0.2256  0.5000  0.0760  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
  H  H6  4  0.0540  0.0000  0.1999  1
]