data_[Sr1Al2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5889]
_cell_length_b [4.5889]
_cell_length_c [10.1652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sr(AlCd3)2]
_chemical_formula_sum '[Sr1 Al2 Cd6]'
_cell_volume [214.0606]
_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  1  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.5000  0.5000  0.1266  1.0
  Cd  Cd2  4  0.0000  0.5000  0.2836  1.0
  Cd  Cd3  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd4  1  0.5000  0.5000  0.5000  1.0
]