data_[Ba2Be2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3561]
_cell_length_b [3.2443]
_cell_length_c [7.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaBeNbN3]
_chemical_formula_sum '[Ba2 Be2 Nb2 N6]'
_cell_volume [164.6106]
_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  0.2138  0.2500  0.2481  1.0
  Be  Be1  2  0.0773  0.2500  0.6047  1.0
  Nb  Nb2  2  0.3266  0.7500  0.8436  1.0
  N  N3  2  0.1410  0.2500  0.8536  1.0
  N  N4  2  0.1620  0.7500  0.5476  1.0
  N  N5  2  0.4728  0.7500  0.1535  1.0
]