data_[Re3Ag1N5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3132]
_cell_length_b [5.3132]
_cell_length_c [4.9642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Re3AgN5]
_chemical_formula_sum '[Re3 Ag1 N5]'
_cell_volume [121.3649]
_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
[
  Re  Re0  3  0.0000  0.5000  0.5000  1
  Ag  Ag1  1  0.0000  0.0000  0.0000  1
  N  N2  4  0.3333  0.6667  0.2352  1
  N  N3  1  0.0000  0.0000  0.5000  1
]