data_[Nd4Tl4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [13.1434]
_cell_length_b [3.9486]
_cell_length_c [4.9780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTlH]
_chemical_formula_sum '[Nd4 Tl4 H4]'
_cell_volume [257.6020]
_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
[
  Nd  Nd0  4  0.1578  0.5000  0.7780  1.0
  Tl  Tl1  4  0.0718  0.0000  0.2627  1.0
  H  H2  4  0.2370  0.0000  0.8391  1.0
]