data_[Mg4Tl12Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.1581]
_cell_length_b [13.1709]
_cell_length_c [5.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(TlPd2)3]
_chemical_formula_sum '[Mg4 Tl12 Pd24]'
_cell_volume [770.5475]
_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
[
  Mg  Mg0  4  0.0000  0.1818  0.0429  1
  Tl  Tl1  8  0.2071  0.0742  0.5139  1
  Tl  Tl2  4  0.0000  0.4032  0.2051  1
  Pd  Pd3  8  0.1373  0.4070  0.6316  1
  Pd  Pd4  8  0.2330  0.2663  0.3031  1
  Pd  Pd5  4  0.0000  0.0075  0.7760  1
  Pd  Pd6  4  0.0000  0.2188  0.5643  1
]