data_[Ba2Y2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [5.9527]
_cell_length_b [6.0029]
_cell_length_c [7.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaYReN4]
_chemical_formula_sum '[Ba2 Y2 Re2 N8]'
_cell_volume [255.0862]
_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  0.2804  0.2500  0.0708  1.0
  Y  Y1  2  0.2010  0.2500  0.5416  1.0
  Re  Re2  2  0.2562  0.7500  0.3343  1.0
  N  N3  4  0.0527  0.5101  0.3013  1.0
  N  N4  2  0.4475  0.7500  0.1797  1.0
  N  N5  2  0.4517  0.7500  0.5678  1.0
]