data_[Ba4Re2H8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1568]
_cell_length_b [5.6674]
_cell_length_c [4.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Re(H2N)2]
_chemical_formula_sum '[Ba4 Re2 H8 N4]'
_cell_volume [270.7669]
_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  4  0.1760  0.5000  0.7685  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  H  H2  8  0.0622  0.2370  0.2869  1
  N  N3  4  0.1610  0.0000  0.7116  1
]