data_[Sr12Ge8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4934]
_cell_length_b [11.3046]
_cell_length_c [15.8516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Ge2Pd3]
_chemical_formula_sum '[Sr12 Ge8 Pd12]'
_cell_volume [805.1975]
_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  0.0742  0.6052  1.0
  Sr  Sr1  4  0.0000  0.3656  0.7500  1.0
  Ge  Ge2  8  0.0000  0.2145  0.1048  1.0
  Pd  Pd3  8  0.0000  0.3278  0.5352  1.0
  Pd  Pd4  4  0.0000  0.3234  0.2500  1.0
]