data_[Nd4Tl4S8O24]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0566]
_cell_length_b [10.0972]
_cell_length_c [8.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdTl(SO3)2]
_chemical_formula_sum '[Nd4 Tl4 S8 O24]'
_cell_volume [683.9578]
_cell_formula_units_Z [4]
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  0.4518  0.7500  1
  Tl  Tl1  4  0.0000  0.1406  0.2500  1
  S  S2  8  0.2161  0.1279  0.7776  1
  O  O3  8  0.1060  0.3962  0.0723  1
  O  O4  8  0.1919  0.2779  0.7657  1
  O  O5  8  0.2441  0.0854  0.6134  1
]