data_[Dy1Re3N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7402]
_cell_length_b [5.7402]
_cell_length_c [6.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [DyRe3N8]
_chemical_formula_sum '[Dy1 Re3 N8]'
_cell_volume [178.6812]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.5000  1
  Re  Re1  2  0.3333  0.6667  0.2812  1
  Re  Re2  1  0.0000  0.0000  0.0000  1
  N  N3  6  0.1558  0.3116  0.1930  1
  N  N4  2  0.3333  0.6667  0.5598  1
]