data_[Ta2Ti14Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5408]
_cell_length_b [5.5278]
_cell_length_c [12.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTi7(SbH)2]
_chemical_formula_sum '[Ta2 Ti14 Sb4 H4]'
_cell_volume [374.1944]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  8  0.1642  0.2507  0.8117  1.0
  Ti  Ti2  4  0.1838  0.5000  0.4148  1.0
  Ti  Ti3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1631  0.0000  0.3598  1.0
  H  H5  4  0.0752  0.5000  0.1635  1.0
]