data_[Cs3Sr9Ag12Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [15.7213]
_cell_length_b [15.7213]
_cell_length_c [11.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsSr3(AgBr3)4]
_chemical_formula_sum '[Cs3 Sr9 Ag12 Br36]'
_cell_volume [2565.9746]
_cell_formula_units_Z [3]
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  0.0000  0.0000  1.0
  Sr  Sr1  9  0.0000  0.5633  0.0000  1.0
  Ag  Ag2  9  0.0000  0.4194  0.5000  1.0
  Ag  Ag3  3  0.0000  0.0000  0.5000  1.0
  Br  Br4  18  0.0441  0.1986  0.1999  1.0
  Br  Br5  9  0.0000  0.5941  0.5000  1.0
  Br  Br6  9  0.0000  0.8343  0.5000  1.0
]