data_[Ba2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.7937]
_cell_length_b [10.3222]
_cell_length_c [9.2100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaCl4]
_chemical_formula_sum '[Ba2 Cl8]'
_cell_volume [391.9403]
_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  0.4230  0.7500  1.0
  Cl  Cl1  4  0.2003  0.0348  0.0054  1.0
  Cl  Cl2  4  0.2676  0.3559  0.5129  1.0
]