data_[Cs6Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.4527]
_cell_length_b [9.4527]
_cell_length_c [19.6908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cs6Cl5]
_chemical_formula_sum '[Cs6 Cl5]'
_cell_volume [1523.7097]
_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  3  0.0000  0.6884  0.4255  1
  Cs  Cs1  2  0.3333  0.6667  0.5819  1
  Cs  Cs2  1  0.0000  0.0000  0.6401  1
  Cl  Cl3  3  0.0000  0.2898  0.5386  1
  Cl  Cl4  2  0.3333  0.6667  0.4019  1
]