data_[Nd16Tl10In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6320]
_cell_length_b [9.6320]
_cell_length_c [9.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8Tl5In]
_chemical_formula_sum '[Nd16 Tl10 In2]'
_cell_volume [891.9804]
_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  8  0.0730  0.1764  0.8005  1
  Nd  Nd1  8  0.0746  0.3241  0.4496  1
  Tl  Tl2  8  0.1246  0.2509  0.1246  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  In  In4  2  0.0000  0.5000  0.7500  1
]