data_[Sm8N4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3502]
_cell_length_b [3.9683]
_cell_length_c [10.8481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2NCl3]
_chemical_formula_sum '[Sm8 N4 Cl12]'
_cell_volume [606.6964]
_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  0.0868  0.5000  0.4533  1.0
  Sm  Sm1  4  0.1378  0.0000  0.7924  1.0
  N  N2  4  0.0760  0.5000  0.6562  1.0
  Cl  Cl3  4  0.0478  0.0000  0.2483  1.0
  Cl  Cl4  4  0.1647  0.5000  0.0117  1.0
  Cl  Cl5  4  0.2231  0.0000  0.6142  1.0
]