data_[Te16Ir2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5069]
_cell_length_b [8.1677]
_cell_length_c [8.7820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te8IrPd3]
_chemical_formula_sum '[Te16 Ir2 Pd6]'
_cell_volume [606.9000]
_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
[
  Te  Te0  8  0.2103  0.2443  0.1570  1
  Te  Te1  4  0.0387  0.5000  0.3340  1
  Te  Te2  4  0.0397  0.0000  0.3295  1
  Pd  Pd3  4  0.2500  0.2500  0.5000  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]