data_[Sc2Tl4Pd12]
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 [C2/m]
_cell_length_a [8.9592]
_cell_length_b [4.2502]
_cell_length_c [8.4978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc(TlPd3)2]
_chemical_formula_sum '[Sc2 Tl4 Pd12]'
_cell_volume [313.5962]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.1868  0.5000  0.7408  1.0
  Pd  Pd2  4  0.0105  0.0000  0.8283  1.0
  Pd  Pd3  4  0.1569  0.5000  0.3962  1.0
  Pd  Pd4  4  0.1571  0.5000  0.0577  1.0
]