data_[Na4Tl12Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [9.8404]
_cell_length_b [10.0544]
_cell_length_c [8.0993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na(TlPd2)3]
_chemical_formula_sum '[Na4 Tl12 Pd24]'
_cell_volume [801.3377]
_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
[
  Na  Na0  4  0.0000  0.2306  0.4734  1.0
  Tl  Tl1  8  0.1729  0.1250  0.0496  1.0
  Tl  Tl2  4  0.0000  0.4605  0.1538  1.0
  Pd  Pd3  8  0.2390  0.4015  0.8757  1.0
  Pd  Pd4  8  0.2406  0.1484  0.7125  1.0
  Pd  Pd5  4  0.0000  0.0095  0.7770  1.0
  Pd  Pd6  4  0.0000  0.2815  0.8349  1.0
]