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 [8.1678]
_cell_length_b [16.6219]
_cell_length_c [6.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4TlH]
_chemical_formula_sum '[La16 Tl4 H4]'
_cell_volume [709.0497]
_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  0.1229  0.2154  0.6055  1
  La  La1  8  0.2225  0.9351  0.6183  1
  Tl  Tl2  4  0.0000  0.3969  0.2500  1
  H  H3  4  0.0000  0.0133  0.2500  1
]