data_[Cs4Ba4Mo4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0528]
_cell_length_b [8.6685]
_cell_length_c [11.1237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsBaMoF6]
_chemical_formula_sum '[Cs4 Ba4 Mo4 F24]'
_cell_volume [776.5068]
_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  0.2500  0.4009  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  4  0.2500  0.2500  0.7500  1.0
  F  F3  16  0.2176  0.0807  0.6190  1.0
  F  F4  4  0.0000  0.2500  0.1238  1.0
  F  F5  4  0.0000  0.2500  0.8167  1.0
]