data_[Sm12N10F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2260]
_cell_length_b [10.7748]
_cell_length_c [6.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6N5F]
_chemical_formula_sum '[Sm12 N10 F2]'
_cell_volume [392.2575]
_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  8  0.2397  0.3248  0.7445  1
  Sm  Sm1  4  0.2364  0.5000  0.2632  1
  N  N2  4  0.0000  0.1688  0.5000  1
  N  N3  4  0.0000  0.3335  0.0000  1
  N  N4  2  0.0000  0.5000  0.5000  1
  F  F5  2  0.0000  0.0000  0.0000  1
]