data_[Ba1Sr2Cd1I8]
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 [P2/m]
_cell_length_a [7.4652]
_cell_length_b [9.8704]
_cell_length_c [7.8050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaSr2CdI8]
_chemical_formula_sum '[Ba1 Sr2 Cd1 I8]'
_cell_volume [575.0552]
_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  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2367  0.5000  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2365  0.2192  0.1496  1.0
  I  I4  2  0.2429  0.0000  0.6657  1.0
  I  I5  2  0.2689  0.5000  0.6430  1.0
]