data_[Sr6Sn8Pd8]
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 [C2/m]
_cell_length_a [26.1024]
_cell_length_b [4.7326]
_cell_length_c [4.7984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(SnPd)4]
_chemical_formula_sum '[Sr6 Sn8 Pd8]'
_cell_volume [586.2271]
_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  0.1510  0.0000  0.6445  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0547  0.5000  0.5481  1.0
  Sn  Sn3  4  0.2025  0.5000  0.1732  1.0
  Pd  Pd4  4  0.0993  0.5000  0.0851  1.0
  Pd  Pd5  4  0.2483  0.0000  0.2906  1.0
]