data_[Te4Pd8I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4663]
_cell_length_b [7.5587]
_cell_length_c [7.5797]
_cell_angle_alpha [61.9247]
_cell_angle_beta [87.8461]
_cell_angle_gamma [61.6262]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te2Pd4I]
_chemical_formula_sum '[Te4 Pd8 I2]'
_cell_volume [322.4040]
_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  1  0.1816  0.1032  0.4102  1
  Te  Te1  1  0.4933  0.3367  0.4134  1
  Te  Te2  1  0.6361  0.6945  0.8603  1
  Te  Te3  1  0.7827  0.7141  0.3665  1
  Pd  Pd4  1  0.3033  0.1337  0.7177  1
  Pd  Pd5  1  0.4620  0.7655  0.1555  1
  Pd  Pd6  1  0.4656  0.1516  0.1794  1
  Pd  Pd7  1  0.4899  0.6522  0.5641  1
  Pd  Pd8  1  0.7089  0.9778  0.9318  1
  Pd  Pd9  1  0.7975  0.2595  0.2023  1
  Pd  Pd10  1  0.8222  0.8962  0.5911  1
  Pd  Pd11  1  0.8552  0.2636  0.5785  1
  I  I12  1  0.0216  0.0439  0.9923  1
  I  I13  1  0.2302  0.5075  0.7869  1
]