data_[Cs1Ba2Co1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4076]
_cell_length_b [6.6437]
_cell_length_c [9.2533]
_cell_angle_alpha [74.8570]
_cell_angle_beta [76.9076]
_cell_angle_gamma [70.4304]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsBa2CoCl8]
_chemical_formula_sum '[Cs1 Ba2 Co1 Cl8]'
_cell_volume [354.0607]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.3900  0.3894  0.7899  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0721  0.7256  0.2058  1.0
  Cl  Cl4  2  0.0739  0.2287  0.1130  1.0
  Cl  Cl5  2  0.3664  0.8792  0.8994  1.0
  Cl  Cl6  2  0.4065  0.3006  0.4759  1.0
]