data_[Sc14Tl4Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7617]
_cell_length_b [10.4402]
_cell_length_c [6.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc7(TlPd)2]
_chemical_formula_sum '[Sc14 Tl4 Pd4]'
_cell_volume [541.5615]
_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  0.2500  0.2500  0.2533  1
  Sc  Sc1  4  0.0000  0.5000  0.2417  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.1876  0.0000  0.5000  1
  Pd  Pd4  4  0.0000  0.2871  0.0000  1
]