data_[Sn9As3O12F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [12.4639]
_cell_length_b [12.4639]
_cell_length_c [4.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sn3AsO4F3]
_chemical_formula_sum '[Sn9 As3 O12 F9]'
_cell_volume [648.9066]
_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
[
  Sn  Sn0  9  0.2118  0.4312  0.1576  1.0
  As  As1  3  0.0000  0.0000  0.9939  1.0
  O  O2  9  0.1530  0.0682  0.8969  1.0
  O  O3  3  0.0000  0.0000  0.3554  1.0
  F  F4  9  0.0653  0.4690  0.0953  1.0
]