data_[Cs4In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0813]
_cell_length_b [7.1770]
_cell_length_c [14.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsInBr3]
_chemical_formula_sum '[Cs4 In4 Br12]'
_cell_volume [889.4497]
_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  0.3225  0.1282  0.8369  1.0
  In  In1  4  0.1365  0.5817  0.9937  1.0
  Br  Br2  4  0.1242  0.5876  0.8129  1.0
  Br  Br3  4  0.2314  0.5819  0.5501  1.0
  Br  Br4  4  0.3987  0.0942  0.5991  1.0
]