data_[Sm3N1Cl7]
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 [P3m1]
_cell_length_a [8.0893]
_cell_length_b [8.0893]
_cell_length_c [6.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3NCl7]
_chemical_formula_sum '[Sm3 N1 Cl7]'
_cell_volume [366.8199]
_cell_formula_units_Z [1]
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  3  0.1579  0.3157  0.2367  1
  N  N1  1  0.0000  0.0000  0.3481  1
  Cl  Cl2  3  0.0158  0.5079  0.4533  1
  Cl  Cl3  3  0.3187  0.1594  0.9899  1
  Cl  Cl4  1  0.3333  0.6667  0.9972  1
]