data_[Cs4Mo2I8F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3084]
_cell_length_b [8.5022]
_cell_length_c [7.8230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mo(I2F)2]
_chemical_formula_sum '[Cs4 Mo2 I8 F4]'
_cell_volume [733.8323]
_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  0.2415  0.5000  0.8138  1
  Mo  Mo1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.0450  0.2373  0.2986  1
  F  F3  4  0.1716  0.0000  0.7350  1
]