data_[Nd12Tl2In10]
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 [Immm]
_cell_length_a [5.4853]
_cell_length_b [7.7681]
_cell_length_c [16.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6TlIn5]
_chemical_formula_sum '[Nd12 Tl2 In10]'
_cell_volume [701.8256]
_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  0.0000  0.2503  0.1670  1
  Nd  Nd1  4  0.0000  0.2493  0.5000  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.0000  0.0000  0.3335  1
  In  In4  4  0.0000  0.5000  0.3332  1
  In  In5  2  0.0000  0.5000  0.0000  1
]