data_[Ba4Sr4Cl16]
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 [Cmc2_1]
_cell_length_a [5.5620]
_cell_length_b [21.1780]
_cell_length_c [7.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BaSrCl4]
_chemical_formula_sum '[Ba4 Sr4 Cl16]'
_cell_volume [836.3019]
_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  0.0000  0.1854  0.9182  1.0
  Sr  Sr1  4  0.0000  0.4164  0.9862  1.0
  Cl  Cl2  4  0.0000  0.1086  0.5219  1.0
  Cl  Cl3  4  0.0000  0.2952  0.2042  1.0
  Cl  Cl4  4  0.0000  0.3172  0.6940  1.0
  Cl  Cl5  4  0.0000  0.4530  0.3853  1.0
]