data_[Cs2K1In1Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.5989]
_cell_length_b [4.9789]
_cell_length_c [8.6117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2KInBr4]
_chemical_formula_sum '[Cs2 K1 In1 Br4]'
_cell_volume [347.6020]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Cs  Cs1  1  0.5000  0.5000  0.0000  1
  K  K2  1  0.5000  0.0000  0.5000  1
  In  In3  1  0.0000  0.5000  0.5000  1
  Br  Br4  2  0.2423  0.0000  0.7247  1
  Br  Br5  2  0.2591  0.5000  0.2750  1
]