data_[Sm4B4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7385]
_cell_length_b [2.8970]
_cell_length_c [5.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2B2N3]
_chemical_formula_sum '[Sm4 B4 N6]'
_cell_volume [157.4299]
_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  0.1314  0.5000  0.7292  1
  B  B1  4  0.1023  0.0000  0.2040  1
  N  N2  4  0.1728  0.5000  0.2469  1
  N  N3  2  0.0000  0.0000  0.0000  1
]