data_[Ba1Li1Co2Cl8]
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
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.4427]
_cell_length_b [6.4427]
_cell_length_c [8.8204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaLi(CoCl4)2]
_chemical_formula_sum '[Ba1 Li1 Co2 Cl8]'
_cell_volume [317.0712]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  Co  Co2  2  0.3333  0.6667  0.2510  1.0
  Cl  Cl3  6  0.0212  0.7046  0.3121  1.0
  Cl  Cl4  2  0.3333  0.6667  0.9989  1.0
]