data_[Ba2Sm2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  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 [6.0623]
_cell_length_b [5.9971]
_cell_length_c [7.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSmReN4]
_chemical_formula_sum '[Ba2 Sm2 Re2 N8]'
_cell_volume [260.5543]
_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  0.2835  0.7500  0.0729  1.0
  Sm  Sm1  2  0.2061  0.7500  0.5459  1.0
  Re  Re2  2  0.2526  0.2500  0.3304  1.0
  N  N3  4  0.0540  0.0094  0.2961  1.0
  N  N4  2  0.4404  0.2500  0.1764  1.0
  N  N5  2  0.4417  0.2500  0.5650  1.0
]