data_[Ba2Si12N16O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.1861]
_cell_length_b [9.7868]
_cell_length_c [4.8750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaSi6N8O]
_chemical_formula_sum '[Ba2 Si12 N16 O2]'
_cell_volume [390.5654]
_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  0.0000  0.5000  0.9871  1
  Si  Si1  8  0.1958  0.1593  0.0218  1
  Si  Si2  4  0.0000  0.1614  0.5255  1
  N  N3  8  0.1746  0.2227  0.6835  1
  N  N4  4  0.0000  0.1887  0.1759  1
  N  N5  4  0.2281  0.5000  0.5519  1
  O  O6  2  0.0000  0.0000  0.6087  1
]