data_[Ba4Tl4Pd4]
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 [13.1184]
_cell_length_b [4.7453]
_cell_length_c [6.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTlPd]
_chemical_formula_sum '[Ba4 Tl4 Pd4]'
_cell_volume [371.5911]
_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
[
  Ba  Ba0  4  0.1200  0.5000  0.8073  1.0
  Tl  Tl1  4  0.0972  0.0000  0.2978  1.0
  Pd  Pd2  4  0.2128  0.5000  0.3663  1.0
]