data_[Sm8Br12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7200]
_cell_length_b [3.9879]
_cell_length_c [11.8698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Br3N]
_chemical_formula_sum '[Sm8 Br12 N4]'
_cell_volume [725.3933]
_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  0.0751  0.5000  0.9598  1
  Sm  Sm1  4  0.1362  0.0000  0.2856  1
  Br  Br2  4  0.0364  0.0000  0.7486  1
  Br  Br3  4  0.1690  0.5000  0.5093  1
  Br  Br4  4  0.2147  0.0000  0.1205  1
  N  N5  4  0.0744  0.5000  0.1534  1
]