data_[Sr6Sn18Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6004]
_cell_length_b [12.7214]
_cell_length_c [13.2645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Sn9Pd2]
_chemical_formula_sum '[Sr6 Sn18 Pd4]'
_cell_volume [776.2806]
_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  4  0.0000  0.0000  0.3128  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.0000  0.2917  0.1274  1.0
  Sn  Sn3  8  0.0000  0.3686  0.3512  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.0000  0.2065  0.5000  1.0
]