data_[Ba1Sr1Co2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2796]
_cell_length_b [7.2796]
_cell_length_c [9.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaSr(CoCl4)2]
_chemical_formula_sum '[Ba1 Sr1 Co2 Cl8]'
_cell_volume [415.4667]
_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  0.5000  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Co  Co2  2  0.3333  0.6667  0.3104  1.0
  Cl  Cl3  6  0.1633  0.3265  0.2265  1.0
  Cl  Cl4  2  0.3333  0.6667  0.5525  1.0
]