data_[Cs6Sn3Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [12.6517]
_cell_length_b [12.6517]
_cell_length_c [8.5266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Cs6Sn3Br14]
_chemical_formula_sum '[Cs6 Sn3 Br14]'
_cell_volume [1181.9718]
_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  0.0524  0.4635  0.7402  1
  Cs  Cs1  3  0.2769  0.2025  0.2688  1
  Sn  Sn2  1  0.0000  0.0000  0.8275  1
  Sn  Sn3  1  0.3333  0.6667  0.3059  1
  Sn  Sn4  1  0.6667  0.3333  0.4854  1
  Br  Br5  3  0.0567  0.2170  0.9864  1
  Br  Br6  3  0.1857  0.7343  0.4711  1
  Br  Br7  3  0.4704  0.2671  0.6651  1
  Br  Br8  3  0.5347  0.1372  0.3086  1
  Br  Br9  1  0.0000  0.0000  0.4650  1
  Br  Br10  1  0.3333  0.6667  0.9383  1
]