data_[Sr3Si1Sb2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8806]
_cell_length_b [6.8806]
_cell_length_c [8.6543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3SiSb2Pd9]
_chemical_formula_sum '[Sr3 Si1 Sb2 Pd9]'
_cell_volume [354.8309]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6738  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Si  Si2  1  0.0000  0.0000  0.5000  1
  Sb  Sb3  2  0.3333  0.6667  0.2004  1
  Pd  Pd4  6  0.1337  0.2674  0.3012  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]