data_[Nd12Tl4H2]
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 [P2_1/c]
_cell_length_a [6.6868]
_cell_length_b [9.4250]
_cell_length_c [9.9088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Tl2H]
_chemical_formula_sum '[Nd12 Tl4 H2]'
_cell_volume [530.3460]
_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
[
  Nd  Nd0  4  0.1230  0.1383  0.4837  1.0
  Nd  Nd1  4  0.3275  0.0378  0.2032  1.0
  Nd  Nd2  4  0.3332  0.7369  0.4442  1.0
  Tl  Tl3  4  0.1744  0.0860  0.8188  1.0
  H  H4  2  0.5000  0.0000  0.5000  1.0
]