data_[Dy2Re1Mo1N6]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.4057]
_cell_length_b [5.4057]
_cell_length_c [4.6752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Dy2ReMoN6]
_chemical_formula_sum '[Dy2 Re1 Mo1 N6]'
_cell_volume [136.6161]
_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  2  0.0000  0.5000  0.9925  1.0
  Re  Re1  1  0.0000  0.0000  0.5884  1.0
  Mo  Mo2  1  0.5000  0.5000  0.5870  1.0
  N  N3  4  0.2470  0.2470  0.7168  1.0
  N  N4  1  0.0000  0.0000  0.2115  1.0
  N  N5  1  0.5000  0.5000  0.2076  1.0
]