data_[Ba4Sr12Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9291]
_cell_length_b [10.0326]
_cell_length_c [9.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr3Cd]
_chemical_formula_sum '[Ba4 Sr12 Cd4]'
_cell_volume [1038.7521]
_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
[
  Ba  Ba0  4  0.0336  0.0000  0.2777  1.0
  Sr  Sr1  8  0.1983  0.2937  0.7381  1.0
  Sr  Sr2  4  0.0797  0.5000  0.2636  1.0
  Cd  Cd3  4  0.2199  0.5000  0.0532  1.0
]