data_[Cs6Fe9Mo3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5999]
_cell_length_b [7.5999]
_cell_length_c [18.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Fe3MoF12]
_chemical_formula_sum '[Cs6 Fe9 Mo3 F36]'
_cell_volume [941.7861]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3836  1.0
  Fe  Fe1  9  0.0000  0.5000  0.5000  1.0
  Mo  Mo2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0618  0.5309  0.6081  1.0
  F  F4  18  0.0735  0.5368  0.8503  1.0
]