data_[Nd8Tl4H2]
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/m]
_cell_length_a [6.4522]
_cell_length_b [6.8922]
_cell_length_c [9.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4Tl2H]
_chemical_formula_sum '[Nd8 Tl4 H2]'
_cell_volume [399.0241]
_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  0.2592  0.0005  0.7257  1.0
  Nd  Nd1  2  0.1796  0.7500  0.0677  1.0
  Nd  Nd2  2  0.2858  0.2500  0.3685  1.0
  Tl  Tl3  2  0.2120  0.7500  0.4150  1.0
  Tl  Tl4  2  0.3479  0.2500  0.0400  1.0
  H  H5  2  0.0744  0.7500  0.8037  1.0
]