data_[La16Tl4H4]
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 [C2/c]
_cell_length_a [8.2351]
_cell_length_b [16.6927]
_cell_length_c [6.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4TlH]
_chemical_formula_sum '[La16 Tl4 H4]'
_cell_volume [721.1589]
_cell_formula_units_Z [4]
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  8  0.1235  0.2149  0.1048  1.0
  La  La1  8  0.2226  0.0644  0.6180  1.0
  Tl  Tl2  4  0.0000  0.3969  0.7500  1.0
  H  H3  4  0.0000  0.0133  0.7500  1.0
]