data_[Sr8Sb16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8253]
_cell_length_b [9.6573]
_cell_length_c [18.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [SrSb2Pd]
_chemical_formula_sum '[Sr8 Sb16 Pd8]'
_cell_volume [859.9565]
_cell_formula_units_Z [8]
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  0.2524  0.0000  1.0
  Sr  Sr1  4  0.0000  0.5000  0.1993  1.0
  Sb  Sb2  8  0.0000  0.1589  0.2009  1.0
  Sb  Sb3  4  0.0000  0.0000  0.4216  1.0
  Sb  Sb4  4  0.0000  0.5000  0.4214  1.0
  Pd  Pd5  8  0.0000  0.2515  0.3487  1.0
]