data_[Ba24Tl2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.2060]
_cell_length_b [14.2316]
_cell_length_c [15.2919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12TlPd5]
_chemical_formula_sum '[Ba24 Tl2 Pd10]'
_cell_volume [1758.1151]
_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
[
  Ba  Ba0  8  0.1304  0.3335  0.3892  1
  Ba  Ba1  8  0.2182  0.1798  0.1189  1
  Ba  Ba2  4  0.1284  0.0000  0.3840  1
  Ba  Ba3  4  0.1788  0.5000  0.1190  1
  Tl  Tl4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  4  0.0000  0.1649  0.5000  1
  Pd  Pd6  4  0.0000  0.3334  0.0000  1
  Pd  Pd7  2  0.0000  0.5000  0.5000  1
]