data_[Ba14Bi6N4]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7038]
_cell_length_b [28.6466]
_cell_length_c [5.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba7Bi3N2]
_chemical_formula_sum '[Ba14 Bi6 N4]'
_cell_volume [871.7984]
_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  0.0000  0.1000  0.5000  1
  Ba  Ba1  4  0.0000  0.1997  0.0000  1
  Ba  Ba2  4  0.0000  0.4001  0.0000  1
  Ba  Ba3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.0000  0.3122  0.5000  1
  Bi  Bi5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.0000  0.1016  0.0000  1
]