data_[Sc12Tl4Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.6073]
_cell_length_b [9.6073]
_cell_length_c [4.7537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sc6Tl2Bi]
_chemical_formula_sum '[Sc12 Tl4 Bi2]'
_cell_volume [438.7681]
_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
[
  Sc  Sc0  8  0.0278  0.6653  0.0000  1.0
  Sc  Sc1  4  0.1308  0.1308  0.5000  1.0
  Tl  Tl2  4  0.2121  0.7879  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
]