data_[Ba1Sr1Cd2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.6544]
_cell_length_b [7.6544]
_cell_length_c [11.0636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaSr(CdI4)2]
_chemical_formula_sum '[Ba1 Sr1 Cd2 I8]'
_cell_volume [561.3763]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Sr  Sr1  1  0.0000  0.0000  0.5000  1
  Cd  Cd2  2  0.3333  0.6667  0.7587  1
  I  I3  6  0.0205  0.6992  0.2964  1
  I  I4  2  0.3333  0.6667  0.0105  1
]