data_[Ba4La4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6945]
_cell_length_b [9.1193]
_cell_length_c [10.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaLaCl5]
_chemical_formula_sum '[Ba4 La4 Cl20]'
_cell_volume [1133.0276]
_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  0.4549  0.7500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0115  0.3059  0.4697  1.0
  Cl  Cl3  8  0.2365  0.0211  0.1222  1.0
  Cl  Cl4  4  0.0000  0.0969  0.7500  1.0
]