data_[Nd8Tl2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0115]
_cell_length_b [6.9058]
_cell_length_c [8.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4TlSi]
_chemical_formula_sum '[Nd8 Tl2 Si2]'
_cell_volume [360.9630]
_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  0.1431  0.5128  0.7539  1.0
  Nd  Nd1  2  0.3380  0.7500  0.1440  1.0
  Nd  Nd2  2  0.3523  0.2500  0.4522  1.0
  Tl  Tl3  2  0.2706  0.2500  0.0805  1.0
  Si  Si4  2  0.1576  0.7500  0.4599  1.0
]