data_[Nd6Tl2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4597]
_cell_length_b [6.4010]
_cell_length_c [13.8726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3TlSb2]
_chemical_formula_sum '[Nd6 Tl2 Sb4]'
_cell_volume [396.0144]
_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  0.0000  0.0000  0.1769  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  4  0.0000  0.5000  0.1642  1.0
]