data_[Sr4Ge8Pd12]
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 [C2/m]
_cell_length_a [15.9754]
_cell_length_b [4.2353]
_cell_length_c [7.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrGe2Pd3]
_chemical_formula_sum '[Sr4 Ge8 Pd12]'
_cell_volume [474.2266]
_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  0.1559  0.0000  0.0738  1.0
  Ge  Ge1  4  0.0171  0.5000  0.1771  1.0
  Ge  Ge2  4  0.1830  0.0000  0.6591  1.0
  Pd  Pd3  4  0.0372  0.0000  0.3590  1.0
  Pd  Pd4  4  0.0966  0.5000  0.6799  1.0
  Pd  Pd5  4  0.1821  0.5000  0.4298  1.0
]