data_[Sm4S4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1542]
_cell_length_b [7.1292]
_cell_length_c [6.5452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmSO4F]
_chemical_formula_sum '[Sm4 S4 O16 F4]'
_cell_volume [411.9169]
_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
[
  Sm  Sm0  4  0.2097  0.0000  0.1283  1.0
  S  S1  4  0.1477  0.5000  0.2726  1.0
  O  O2  8  0.1899  0.3341  0.1551  1.0
  O  O3  4  0.0150  0.5000  0.7454  1.0
  O  O4  4  0.2383  0.5000  0.4931  1.0
  F  F5  4  0.0226  0.0000  0.8189  1.0
]