data_[Cs1Sn2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4847]
_cell_length_b [5.5707]
_cell_length_c [8.3449]
_cell_angle_alpha [85.6626]
_cell_angle_beta [87.5160]
_cell_angle_gamma [85.5214]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn2MoF8]
_chemical_formula_sum '[Cs1 Sn2 Mo1 F8]'
_cell_volume [253.2798]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4862  0.4863  0.7736  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1553  0.7704  0.8265  1.0
  F  F4  2  0.2409  0.8575  0.1809  1.0
  F  F5  2  0.2535  0.2606  0.9278  1.0
  F  F6  2  0.3200  0.3593  0.5831  1.0
]