data_[Cs4Sr4Br12]
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 [Cmcm]
_cell_length_a [4.6112]
_cell_length_b [15.5052]
_cell_length_c [11.5877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsSrBr3]
_chemical_formula_sum '[Cs4 Sr4 Br12]'
_cell_volume [828.4852]
_cell_formula_units_Z [4]
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  4  0.0000  0.2453  0.7500  1.0
  Sr  Sr1  4  0.0000  0.5000  0.0000  1.0
  Br  Br2  8  0.0000  0.1296  0.0481  1.0
  Br  Br3  4  0.0000  0.4379  0.2500  1.0
]