data_[Ba4Li2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5860]
_cell_length_b [6.0562]
_cell_length_c [7.5927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2LiReN4]
_chemical_formula_sum '[Ba4 Li2 Re2 N8]'
_cell_volume [284.7454]
_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
[
  Ba  Ba0  2  0.1896  0.7500  0.4202  1.0
  Ba  Ba1  2  0.2657  0.7500  0.9476  1.0
  Li  Li2  2  0.3511  0.2500  0.6307  1.0
  Re  Re3  2  0.2919  0.2500  0.2146  1.0
  N  N4  4  0.4686  0.0069  0.2663  1.0
  N  N5  2  0.1184  0.2500  0.3653  1.0
  N  N6  2  0.1253  0.2500  0.9672  1.0
]