data_[Ba1Tb1Sn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6347]
_cell_length_b [4.6347]
_cell_length_c [9.9860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [BaTb(SnPd2)2]
_chemical_formula_sum '[Ba1 Tb1 Sn2 Pd4]'
_cell_volume [185.7676]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tb  Tb1  1  0.3333  0.6667  0.5000  1
  Sn  Sn2  2  0.6667  0.3333  0.2757  1
  Pd  Pd3  2  0.0000  0.0000  0.3470  1
  Pd  Pd4  2  0.3333  0.6667  0.2135  1
]