data_[Sr9Pd24Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5861]
_cell_length_b [5.5861]
_cell_length_c [27.2260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3Pd8Pb]
_chemical_formula_sum '[Sr9 Pd24 Pb3]'
_cell_volume [735.7560]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3756  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5026  1.0
  Sr  Sr2  3  0.0000  0.0000  0.9967  1.0
  Pd  Pd3  9  0.0014  0.5007  0.4387  1.0
  Pd  Pd4  9  0.1672  0.3343  0.2702  1.0
  Pd  Pd5  3  0.0000  0.0000  0.1879  1.0
  Pd  Pd6  3  0.0000  0.0000  0.6879  1.0
  Pb  Pb7  3  0.0000  0.0000  0.8725  1.0
]