data_[Ba3Li9Cu12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [13.2792]
_cell_length_b [13.2792]
_cell_length_c [10.1986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaLi3(CuCl3)4]
_chemical_formula_sum '[Ba3 Li9 Cu12 Cl36]'
_cell_volume [1557.4528]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Li  Li1  9  0.0000  0.5773  0.0000  1
  Cu  Cu2  9  0.0000  0.4238  0.5000  1
  Cu  Cu3  3  0.0000  0.0000  0.5000  1
  Cl  Cl4  18  0.0511  0.2072  0.1877  1
  Cl  Cl5  9  0.0000  0.5907  0.5000  1
  Cl  Cl6  9  0.0000  0.8348  0.5000  1
]