data_[Cs2Sr2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0360]
_cell_length_b [8.8591]
_cell_length_c [8.8272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSrBr3]
_chemical_formula_sum '[Cs2 Sr2 Br6]'
_cell_volume [446.1945]
_cell_formula_units_Z [2]
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  2  0.3122  0.2500  0.1075  1.0
  Sr  Sr1  2  0.0095  0.2500  0.5250  1.0
  Br  Br2  4  0.1235  0.5201  0.7584  1.0
  Br  Br3  2  0.4836  0.7500  0.4608  1.0
]