data_[Cs8Na4In4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2176]
_cell_length_b [20.3633]
_cell_length_c [13.9637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2NaInBr5]
_chemical_formula_sum '[Cs8 Na4 In4 Br20]'
_cell_volume [1483.5994]
_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  0.1244  0.3204  1.0
  Cs  Cs1  4  0.0000  0.1270  0.6844  1.0
  Na  Na2  4  0.0000  0.2169  0.0310  1.0
  In  In3  4  0.0000  0.4247  0.4632  1.0
  Br  Br4  4  0.0000  0.0565  0.0201  1.0
  Br  Br5  4  0.0000  0.3074  0.3666  1.0
  Br  Br6  4  0.0000  0.3099  0.6413  1.0
  Br  Br7  4  0.0000  0.3541  0.0060  1.0
  Br  Br8  4  0.0000  0.4913  0.2910  1.0
]