data_[Cs8Br6Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [10.7517]
_cell_length_b [10.7517]
_cell_length_c [7.6570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Cs8Br6Cl]
_chemical_formula_sum '[Cs8 Br6 Cl1]'
_cell_volume [766.5506]
_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  6  0.0000  0.2654  0.7619  1
  Cs  Cs1  2  0.3333  0.6667  0.5000  1
  Br  Br2  6  0.0000  0.3838  0.2735  1
  Cl  Cl3  1  0.0000  0.0000  0.5000  1
]