data_[Ba4Sr2Nb2N8]
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
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1332]
_cell_length_b [7.2807]
_cell_length_c [6.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ba2SrNbN4]
_chemical_formula_sum '[Ba4 Sr2 Nb2 N8]'
_cell_volume [362.7970]
_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  0.2435  0.6749  0.9754  1
  Sr  Sr1  2  0.0000  0.8606  0.4807  1
  Nb  Nb2  2  0.0000  0.1718  0.0034  1
  N  N3  4  0.2096  0.2990  0.9241  1
  N  N4  2  0.0000  0.1673  0.3203  1
  N  N5  2  0.0000  0.9134  0.8967  1
]