data_[Ba2B4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8377]
_cell_length_b [9.3978]
_cell_length_c [6.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(BCl4)2]
_chemical_formula_sum '[Ba2 B4 Cl16]'
_cell_volume [734.7258]
_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
  B  B1  4  0.2108  0.0000  0.6871  1.0
  Cl  Cl2  8  0.1345  0.1631  0.7339  1.0
  Cl  Cl3  4  0.1517  0.5000  0.1308  1.0
  Cl  Cl4  4  0.2147  0.0000  0.3928  1.0
]