data_[Ba4Sr8N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.9363]
_cell_length_b [13.3530]
_cell_length_c [7.0643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [BaSr2N]
_chemical_formula_sum '[Ba4 Sr8 N4]'
_cell_volume [654.3041]
_cell_formula_units_Z [4]
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  0.0000  0.2500  0.7592  1
  Sr  Sr1  8  0.0000  0.0662  0.2106  1
  N  N2  4  0.2500  0.0000  0.0000  1
]