# generated using pymatgen
data_BeNb3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46286270
_cell_length_b   5.46286176
_cell_length_c   8.06410969
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.62305438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb3N
_chemical_formula_sum   'Be2 Nb6 N2'
_cell_volume   135.88286076
_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
  Be  Be0  1  0.26016266  0.73983734  0.25000000  1.0
  Be  Be1  1  0.73983734  0.26016266  0.75000000  1.0
  Nb  Nb2  1  0.93539329  0.06460671  0.25000000  1.0
  Nb  Nb3  1  0.06460671  0.93539329  0.75000000  1.0
  Nb  Nb4  1  0.63846137  0.36153863  0.44005474  1.0
  Nb  Nb5  1  0.36153863  0.63846137  0.55994526  1.0
  Nb  Nb6  1  0.63846137  0.36153863  0.05994526  1.0
  Nb  Nb7  1  0.36153863  0.63846137  0.94005474  1.0
  N  N8  1  0.00000000  0.00000000  0.50000000  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0