data_[Ti4Ni10Ge6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6522]
_cell_length_b [3.6522]
_cell_length_c [20.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ti2Ni5Ge3H2]
_chemical_formula_sum '[Ti4 Ni10 Ge6 H4]'
_cell_volume [269.8850]
_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  0.0000  0.3028  1
  Ni  Ni1  8  0.0000  0.5000  0.0904  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  Ge  Ge3  4  0.0000  0.0000  0.1746  1
  Ge  Ge4  2  0.0000  0.0000  0.0000  1
  H  H5  4  0.0000  0.0000  0.4127  1
]