data_[Ba2Sr4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6326]
_cell_length_b [14.2634]
_cell_length_c [5.4419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr2Cl8]
_chemical_formula_sum '[Ba2 Sr4 Cl16]'
_cell_volume [669.8502]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.0000  0.2803  0.5000  1.0
  Cl  Cl2  8  0.2097  0.1161  0.5223  1.0
  Cl  Cl3  4  0.0000  0.2230  0.0000  1.0
  Cl  Cl4  4  0.0754  0.5000  0.8573  1.0
]