data_[Ba4Dy4Nb4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7034]
_cell_length_b [4.0402]
_cell_length_c [7.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaDyNbN3]
_chemical_formula_sum '[Ba4 Dy4 Nb4 N12]'
_cell_volume [414.2057]
_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  0.1492  0.5000  0.0794  1
  Dy  Dy1  4  0.1577  0.5000  0.5745  1
  Nb  Nb2  4  0.0022  0.0000  0.3041  1
  N  N3  4  0.0066  0.5000  0.3280  1
  N  N4  4  0.1492  0.0000  0.7905  1
  N  N5  4  0.1635  0.0000  0.3539  1
]