data_[Sr12Bi12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8824]
_cell_length_b [11.8209]
_cell_length_c [16.4353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Bi3Pd2]
_chemical_formula_sum '[Sr12 Bi12 Pd8]'
_cell_volume [948.5502]
_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  0.0856  0.6096  1.0
  Sr  Sr1  4  0.0000  0.3641  0.7500  1.0
  Bi  Bi2  8  0.0000  0.3686  0.5340  1.0
  Bi  Bi3  4  0.0000  0.3366  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2024  0.1033  1.0
]