data_[Na4Hf2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6936]
_cell_length_b [6.6913]
_cell_length_c [5.6297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2HfReN4]
_chemical_formula_sum '[Na4 Hf2 Re2 N8]'
_cell_volume [252.1516]
_cell_formula_units_Z [2]
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  0.2490  0.6587  0.9834  1.0
  Hf  Hf1  2  0.0000  0.8570  0.4939  1.0
  Re  Re2  2  0.0000  0.1592  0.0013  1.0
  N  N3  4  0.2360  0.3001  0.9294  1.0
  N  N4  2  0.0000  0.1258  0.3273  1.0
  N  N5  2  0.0000  0.9121  0.8519  1.0
]