data_[Ba10Tl4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5691]
_cell_length_b [6.1000]
_cell_length_c [7.4752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5(TlH)2]
_chemical_formula_sum '[Ba10 Tl4 H4]'
_cell_volume [657.5673]
_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
[
  Ba  Ba0  4  0.1521  0.0000  0.5353  1.0
  Ba  Ba1  4  0.1636  0.5000  0.9171  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0663  0.5000  0.3335  1.0
  H  H4  4  0.1670  0.0000  0.8927  1.0
]