data_[Y24Tl2Fe12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.7629]
_cell_length_b [9.7629]
_cell_length_c [9.7629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Y12TlFe6]
_chemical_formula_sum '[Y24 Tl2 Fe12]'
_cell_volume [930.5376]
_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
[
  Y  Y0  24  0.0000  0.2983  0.1948  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  12  0.0000  0.1087  0.5000  1
]