data_[Sc2Tl2Pd6]
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 [P2_1/m]
_cell_length_a [5.2993]
_cell_length_b [4.6615]
_cell_length_c [7.6737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScTlPd3]
_chemical_formula_sum '[Sc2 Tl2 Pd6]'
_cell_volume [178.4650]
_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  2  0.2272  0.7500  0.1688  1
  Tl  Tl1  2  0.1811  0.2500  0.6114  1
  Pd  Pd2  2  0.0585  0.7500  0.7942  1
  Pd  Pd3  2  0.3411  0.2500  0.0001  1
  Pd  Pd4  2  0.4808  0.7500  0.6094  1
]