data_[Sm8C4N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.1554]
_cell_length_b [5.1554]
_cell_length_c [10.4109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Sm4C2NF]
_chemical_formula_sum '[Sm8 C4 N2 F2]'
_cell_volume [276.7015]
_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  4  0.0000  0.0000  0.2620  1
  Sm  Sm1  4  0.0000  0.5000  0.5038  1
  C  C2  2  0.0000  0.0000  0.5000  1
  C  C3  2  0.0000  0.5000  0.2500  1
  N  N4  2  0.0000  0.5000  0.7500  1
  F  F5  2  0.0000  0.0000  0.0000  1
]