data_[Sm8F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1104]
_cell_length_b [3.7766]
_cell_length_c [6.7928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2F3]
_chemical_formula_sum '[Sm8 F12]'
_cell_volume [330.1385]
_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  0.1039  0.5000  0.3896  1
  Sm  Sm1  4  0.1209  0.0000  0.8462  1
  F  F2  4  0.0659  0.0000  0.1664  1
  F  F3  4  0.1937  0.0000  0.5544  1
  F  F4  4  0.1961  0.5000  0.0852  1
]