data_[Pd3I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.8044]
_cell_length_b [10.8044]
_cell_length_c [19.9993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Pd3I10]
_chemical_formula_sum '[Pd3 I10]'
_cell_volume [2021.8538]
_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
[
  Pd  Pd0  2  0.3333  0.6667  0.5788  1
  Pd  Pd1  1  0.0000  0.0000  0.3758  1
  I  I2  6  0.1623  0.3980  0.5790  1
  I  I3  3  0.0000  0.7778  0.3290  1
  I  I4  1  0.0000  0.0000  0.5057  1
]