data_[Re3N7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6669]
_cell_length_b [4.9505]
_cell_length_c [18.4980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Re3N7]
_chemical_formula_sum '[Re3 N7]'
_cell_volume [335.7969]
_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  1  0.0000  0.5000  0.3987  1
  Re  Re1  1  0.5000  0.0000  0.4169  1
  Re  Re2  1  0.5000  0.5000  0.4861  1
  N  N3  4  0.1842  0.2431  0.5633  1
  N  N4  2  0.3065  0.0000  0.5355  1
  N  N5  1  0.0000  0.0000  0.3742  1
]