data_[Ba8Tl4H2]
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 [P2_1/m]
_cell_length_a [8.0771]
_cell_length_b [8.2064]
_cell_length_c [9.0771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Tl2H]
_chemical_formula_sum '[Ba8 Tl4 H2]'
_cell_volume [582.8836]
_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  0.4776  0.0164  0.7328  1
  Ba  Ba1  2  0.0582  0.7500  0.3699  1
  Ba  Ba2  2  0.1207  0.7500  0.9357  1
  Tl  Tl3  2  0.2316  0.2500  0.3835  1
  Tl  Tl4  2  0.2833  0.2500  0.9907  1
  H  H5  2  0.2988  0.7500  0.2193  1
]