data_[Cs10In2Br10]
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 [C2/m]
_cell_length_a [16.3270]
_cell_length_b [7.2842]
_cell_length_c [10.2779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5InBr5]
_chemical_formula_sum '[Cs10 In2 Br10]'
_cell_volume [1158.7332]
_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  4  0.1654  0.5000  0.8372  1
  Cs  Cs1  4  0.1712  0.5000  0.3261  1
  Cs  Cs2  2  0.0000  0.0000  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1566  0.0000  0.8415  1
  Br  Br5  4  0.1618  0.0000  0.3212  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]