data_[Sc24Tl4Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8498]
_cell_length_b [8.9007]
_cell_length_c [9.3210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6TlCo2]
_chemical_formula_sum '[Sc24 Tl4 Co8]'
_cell_volume [734.2110]
_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  0.2192  0.2349  1
  Sc  Sc1  8  0.2021  0.5000  0.1866  1
  Sc  Sc2  8  0.2143  0.3084  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Co  Co5  4  0.0000  0.3716  0.0000  1
  Co  Co6  4  0.0000  0.5000  0.3817  1
]