data_[Sc24Tl4Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.0482]
_cell_length_b [9.1126]
_cell_length_c [9.7111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6TlZn2]
_chemical_formula_sum '[Sc24 Tl4 Zn8]'
_cell_volume [800.6989]
_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
[
  Sc  Sc0  8  0.0000  0.2891  0.3163  1
  Sc  Sc1  8  0.1881  0.2792  0.0000  1
  Sc  Sc2  8  0.2087  0.0000  0.2418  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Zn  Zn5  4  0.0000  0.5000  0.1260  1
  Zn  Zn6  4  0.1413  0.5000  0.5000  1
]