data_[Ba2Sr4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  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 [7.8546]
_cell_length_b [6.9876]
_cell_length_c [6.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaSr2ReN4]
_chemical_formula_sum '[Ba2 Sr4 Re2 N8]'
_cell_volume [338.7406]
_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  0.0000  0.8848  0.4789  1.0
  Sr  Sr1  4  0.2416  0.6482  0.9844  1.0
  Re  Re2  2  0.0000  0.1778  0.0053  1.0
  N  N3  4  0.1929  0.2887  0.8852  1.0
  N  N4  2  0.0000  0.2294  0.2993  1.0
  N  N5  2  0.0000  0.9118  0.9771  1.0
]