data_[Ba4Bi4N4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.8518]
_cell_length_b [15.7981]
_cell_length_c [6.1073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaBiNO5]
_chemical_formula_sum '[Ba4 Bi4 N4 O20]'
_cell_volume [564.5813]
_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  0.4806  0.3472  0.0112  1.0
  Bi  Bi1  4  0.4804  0.1883  0.5127  1.0
  N  N2  2  0.0187  0.5000  0.9870  1.0
  N  N3  2  0.0191  0.0000  0.4820  1.0
  O  O4  4  0.0623  0.9303  0.5749  1.0
  O  O5  4  0.2326  0.2502  0.7372  1.0
  O  O6  4  0.2337  0.7485  0.2881  1.0
  O  O7  4  0.4294  0.0699  0.0411  1.0
  O  O8  2  0.2032  0.5000  0.8783  1.0
  O  O9  2  0.4319  0.5000  0.2893  1.0
]