data_[Sr8Sb8Pd4]
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 [C2/m]
_cell_length_a [11.9116]
_cell_length_b [4.7117]
_cell_length_c [12.0745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sb2Pd]
_chemical_formula_sum '[Sr8 Sb8 Pd4]'
_cell_volume [607.6247]
_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  4  0.0899  0.0000  0.8997  1.0
  Sr  Sr1  4  0.2000  0.5000  0.6402  1.0
  Sb  Sb2  4  0.0368  0.0000  0.4012  1.0
  Sb  Sb3  4  0.1326  0.5000  0.1229  1.0
  Pd  Pd4  4  0.0682  0.5000  0.3129  1.0
]