data_[La8Tl4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.5855]
_cell_length_b [7.0265]
_cell_length_c [9.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Tl2H]
_chemical_formula_sum '[La8 Tl4 H2]'
_cell_volume [426.8476]
_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
[
  La  La0  4  0.2552  0.0063  0.7173  1.0
  La  La1  2  0.1730  0.7500  0.0590  1.0
  La  La2  2  0.2894  0.2500  0.3613  1.0
  Tl  Tl3  2  0.2205  0.7500  0.4069  1.0
  Tl  Tl4  2  0.3582  0.2500  0.0363  1.0
  H  H5  2  0.0779  0.7500  0.7977  1.0
]