data_[Sr8Pd2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [9.5764]
_cell_length_b [9.5764]
_cell_length_c [6.4630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr8Pd2Cl]
_chemical_formula_sum '[Sr8 Pd2 Cl1]'
_cell_volume [513.2929]
_cell_formula_units_Z [1]
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  6  0.1602  0.3205  0.2551  1
  Sr  Sr1  2  0.3333  0.6667  0.7515  1
  Pd  Pd2  2  0.3333  0.6667  0.2511  1
  Cl  Cl3  1  0.0000  0.0000  0.0000  1
]