data_[Sn2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7903]
_cell_length_b [4.0712]
_cell_length_c [5.6514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnPd5]
_chemical_formula_sum '[Sn2 Pd10]'
_cell_volume [193.3477]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.1655  0.0000  0.8315  1.0
  Pd  Pd2  4  0.1674  0.0000  0.3348  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
]