data_[Sr12Sb4Pd12]
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 [Cmcm]
_cell_length_a [4.5105]
_cell_length_b [11.1789]
_cell_length_c [14.8409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3SbPd3]
_chemical_formula_sum '[Sr12 Sb4 Pd12]'
_cell_volume [748.3101]
_cell_formula_units_Z [4]
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  0.0000  0.2110  0.6029  1
  Sr  Sr1  4  0.0000  0.4926  0.7500  1
  Sb  Sb2  4  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0000  0.0770  0.0912  1
  Pd  Pd4  4  0.0000  0.2093  0.2500  1
]