data_[Ba2Se2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5119]
_cell_length_b [5.7679]
_cell_length_c [6.6192]
_cell_angle_alpha [90.7909]
_cell_angle_beta [90.3379]
_cell_angle_gamma [118.2169]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSeN]
_chemical_formula_sum '[Ba2 Se2 N2]'
_cell_volume [185.3956]
_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  0.1708  0.8188  0.2503  1
  Se  Se1  2  0.1516  0.8268  0.7417  1
  N  N2  2  0.4515  0.5523  0.0426  1
]