data_[Na8Er4Re4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.0648]
_cell_length_b [7.6847]
_cell_length_c [9.0698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Na2ErReN4]
_chemical_formula_sum '[Na8 Er4 Re4 N16]'
_cell_volume [492.4139]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.0000  0.8967  1.0
  Na  Na1  4  0.2500  0.6903  0.7021  1.0
  Er  Er2  4  0.0000  0.0000  0.5109  1.0
  Re  Re3  4  0.2500  0.2311  0.1861  1.0
  N  N4  8  0.0384  0.2105  0.0755  1.0
  N  N5  4  0.2500  0.0261  0.7084  1.0
  N  N6  4  0.2500  0.0683  0.3444  1.0
]