data_[K2Ba4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [8.5079]
_cell_length_b [6.3504]
_cell_length_c [6.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KBa2ReN4]
_chemical_formula_sum '[K2 Ba4 Re2 N8]'
_cell_volume [331.8287]
_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
[
  K  K0  2  0.0000  0.6962  0.5127  1.0
  Ba  Ba1  4  0.2431  0.2107  0.5191  1.0
  Re  Re2  2  0.0000  0.2238  0.9943  1.0
  N  N3  4  0.1803  0.3783  0.9608  1.0
  N  N4  2  0.0000  0.0236  0.7773  1.0
  N  N5  2  0.0000  0.0754  0.2557  1.0
]