data_[Cs4Mo2I2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mo  2.1600  1.4500  0.7750
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.9775]
_cell_length_b [7.9775]
_cell_length_c [11.0127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2MoIBr5]
_chemical_formula_sum '[Cs4 Mo2 I2 Br10]'
_cell_volume [700.8600]
_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  0.2476  1.0
  Mo  Mo1  2  0.0000  0.0000  0.9974  1.0
  I  I2  2  0.0000  0.0000  0.2500  1.0
  Br  Br3  8  0.2279  0.2279  0.9983  1.0
  Br  Br4  2  0.0000  0.0000  0.7641  1.0
]