data_[Sr12P8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8390]
_cell_length_b [12.9014]
_cell_length_c [6.2330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr3P2Pd5]
_chemical_formula_sum '[Sr12 P8 Pd20]'
_cell_volume [871.6099]
_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  0.2199  0.3728  0.0000  1
  Sr  Sr1  4  0.0000  0.0000  0.2500  1
  P  P2  8  0.1368  0.1520  0.0000  1
  Pd  Pd3  8  0.0000  0.2415  0.2500  1
  Pd  Pd4  8  0.1538  0.3779  0.5000  1
  Pd  Pd5  4  0.0000  0.5000  0.2500  1
]