data_[Te4Pd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5472]
_cell_length_b [7.1385]
_cell_length_c [6.4296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TePdO3]
_chemical_formula_sum '[Te4 Pd4 O12]'
_cell_volume [304.0162]
_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
[
  Te  Te0  4  0.2328  0.5000  0.9540  1.0
  Pd  Pd1  4  0.2500  0.2500  0.5000  1.0
  O  O2  8  0.0469  0.2940  0.8035  1.0
  O  O3  4  0.2196  0.0000  0.3134  1.0
]