data_[Nd12Tl10Sn2]
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 [Cmmm]
_cell_length_a [5.5255]
_cell_length_b [16.6220]
_cell_length_c [7.7487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd6Tl5Sn]
_chemical_formula_sum '[Nd12 Tl10 Sn2]'
_cell_volume [711.6814]
_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  0.1644  0.2510  1
  Nd  Nd1  4  0.0000  0.5000  0.2448  1
  Tl  Tl2  4  0.0000  0.3277  0.0000  1
  Tl  Tl3  4  0.0000  0.3336  0.5000  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]