data_[Ba4Sr4Cl14]
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 [Cmmm]
_cell_length_a [9.7169]
_cell_length_b [10.5731]
_cell_length_c [7.3398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2Sr2Cl7]
_chemical_formula_sum '[Ba4 Sr4 Cl14]'
_cell_volume [754.0694]
_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  4  0.2408  0.0000  0.5000  1.0
  Sr  Sr1  4  0.0000  0.2708  0.0000  1.0
  Cl  Cl2  8  0.2500  0.2500  0.2475  1.0
  Cl  Cl3  4  0.0000  0.5000  0.2386  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]