data_[Sm8C8F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2049]
_cell_length_b [4.3215]
_cell_length_c [6.5128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2C2F]
_chemical_formula_sum '[Sm8 C8 F4]'
_cell_volume [351.4879]
_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  8  0.1429  0.3235  0.6096  1
  C  C1  8  0.2209  0.1240  0.0139  1
  F  F2  4  0.0000  0.4541  0.2500  1
]