data_[Nd16Tl2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0441]
_cell_length_b [5.2712]
_cell_length_c [7.0649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8TlSn2]
_chemical_formula_sum '[Nd16 Tl2 Sn4]'
_cell_volume [724.2253]
_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  0.0185  0.0000  0.7629  1.0
  Nd  Nd1  4  0.0933  0.5000  0.4808  1.0
  Nd  Nd2  4  0.1597  0.5000  0.9987  1.0
  Nd  Nd3  4  0.2133  0.0000  0.3246  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1803  0.0000  0.7545  1.0
]