data_[Nd24Tl8Os8]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.7733]
_cell_length_b [10.0906]
_cell_length_c [16.6217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd3TlOs]
_chemical_formula_sum '[Nd24 Tl8 Os8]'
_cell_volume [1136.0429]
_cell_formula_units_Z [8]
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  16  0.0000  0.1924  0.1120  1
  Nd  Nd1  8  0.0000  0.0000  0.2994  1
  Tl  Tl2  8  0.2123  0.0000  0.5000  1
  Os  Os3  8  0.2500  0.2500  0.2500  1
]