data_[Dy8Br12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [18.9330]
_cell_length_b [3.8720]
_cell_length_c [11.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy2Br3N]
_chemical_formula_sum '[Dy8 Br12 N4]'
_cell_volume [697.4838]
_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
[
  Dy  Dy0  4  0.0716  0.5000  0.4618  1
  Dy  Dy1  4  0.1355  0.0000  0.7842  1
  Br  Br2  4  0.0329  0.0000  0.2510  1
  Br  Br3  4  0.1715  0.5000  0.0093  1
  Br  Br4  4  0.2107  0.0000  0.6202  1
  N  N5  4  0.0747  0.5000  0.6537  1
]