data_[Ba8Te8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7226]
_cell_length_b [4.6301]
_cell_length_c [12.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTePd]
_chemical_formula_sum '[Ba8 Te8 Pd8]'
_cell_volume [744.5397]
_cell_formula_units_Z [8]
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  0.0891  0.5000  0.1350  1
  Ba  Ba1  4  0.1189  0.0000  0.6283  1
  Te  Te2  4  0.1109  0.5000  0.4035  1
  Te  Te3  4  0.1867  0.5000  0.8432  1
  Pd  Pd4  4  0.1744  0.0000  0.3150  1
  Pd  Pd5  4  0.1878  0.0000  0.9544  1
]