data_[Sr12P2Pd4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8204]
_cell_length_b [13.5463]
_cell_length_c [8.5625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6PPd2I3]
_chemical_formula_sum '[Sr12 P2 Pd4 I6]'
_cell_volume [863.2627]
_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
[
  Sr  Sr0  8  0.2295  0.1637  0.1966  1.0
  Sr  Sr1  4  0.2390  0.5000  0.1973  1.0
  P  P2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.3334  0.0000  1.0
  I  I4  4  0.0000  0.1663  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]