data_[Sr16Re8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7853]
_cell_length_b [11.2845]
_cell_length_c [12.8866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2ReN3]
_chemical_formula_sum '[Sr16 Re8 N24]'
_cell_volume [841.2970]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.0000  0.0608  0.8672  1
  Sr  Sr1  8  0.0000  0.1402  0.4190  1
  Re  Re2  8  0.0000  0.2396  0.6577  1
  N  N3  8  0.0000  0.0803  0.6215  1
  N  N4  8  0.0000  0.1556  0.0429  1
  N  N5  8  0.2500  0.2295  0.2500  1
]