data_[Sr6Cd6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7251]
_cell_length_b [4.4610]
_cell_length_c [13.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCdPd]
_chemical_formula_sum '[Sr6 Cd6 Pd6]'
_cell_volume [454.3445]
_cell_formula_units_Z [6]
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  2  0.0345  0.7500  0.7108  1
  Sr  Sr1  2  0.3432  0.2500  0.0801  1
  Sr  Sr2  2  0.4690  0.2500  0.3772  1
  Cd  Cd3  2  0.0044  0.7500  0.0864  1
  Cd  Cd4  2  0.1434  0.7500  0.4576  1
  Cd  Cd5  2  0.3641  0.2500  0.7969  1
  Pd  Pd6  2  0.2333  0.2500  0.5823  1
  Pd  Pd7  2  0.2338  0.7500  0.9128  1
  Pd  Pd8  2  0.2637  0.7500  0.2482  1
]