data_[Cs4P2I2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.9759]
_cell_length_b [7.9759]
_cell_length_c [10.7580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2PIBr5]
_chemical_formula_sum '[Cs4 P2 I2 Br10]'
_cell_volume [684.3606]
_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  0.0000  0.5000  0.2528  1
  P  P1  2  0.0000  0.0000  0.0027  1
  I  I2  2  0.0000  0.0000  0.7470  1
  Br  Br3  8  0.2222  0.2222  0.0034  1
  Br  Br4  2  0.0000  0.0000  0.2311  1
]