data_[Sm16C4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.3290]
_cell_length_b [7.3290]
_cell_length_c [10.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Sm4CO2]
_chemical_formula_sum '[Sm16 C4 O8]'
_cell_volume [556.1390]
_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  0.0210  0.2575  0.7542  1
  Sm  Sm1  8  0.2573  0.4964  0.5026  1
  C  C2  4  0.0000  0.2556  0.0000  1
  O  O3  4  0.2347  0.2347  0.3750  1
  O  O4  4  0.2536  0.5000  0.7500  1
]