data_[Sm6S2O2F10]
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 [Pm]
_cell_length_a [9.6092]
_cell_length_b [3.7827]
_cell_length_c [9.6571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sm3SOF5]
_chemical_formula_sum '[Sm6 S2 O2 F10]'
_cell_volume [305.2067]
_cell_formula_units_Z [2]
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  1  0.1320  0.0000  0.7277  1.0
  Sm  Sm1  1  0.2988  0.0000  0.4147  1.0
  Sm  Sm2  1  0.4051  0.5000  0.1042  1.0
  Sm  Sm3  1  0.5828  0.0000  0.8668  1.0
  Sm  Sm4  1  0.7041  0.5000  0.5969  1.0
  Sm  Sm5  1  0.8770  0.5000  0.2858  1.0
  S  S6  1  0.3265  0.5000  0.6614  1.0
  S  S7  1  0.6714  0.0000  0.3328  1.0
  O  O8  1  0.3837  0.0000  0.9480  1.0
  O  O9  1  0.5637  0.0000  0.6126  1.0
  F  F10  1  0.0479  0.0000  0.4338  1.0
  F  F11  1  0.1218  0.5000  0.2852  1.0
  F  F12  1  0.1457  0.5000  0.8813  1.0
  F  F13  1  0.2759  0.0000  0.1624  1.0
  F  F14  1  0.4312  0.5000  0.3744  1.0
  F  F15  1  0.6224  0.5000  0.0476  1.0
  F  F16  1  0.7271  0.5000  0.8508  1.0
  F  F17  1  0.8408  0.0000  0.1206  1.0
  F  F18  1  0.8872  0.0000  0.7264  1.0
  F  F19  1  0.9550  0.5000  0.5667  1.0
]