# generated using pymatgen
data_Ba(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83220746
_cell_length_b   5.83220746
_cell_length_c   5.83220746
_cell_angle_alpha   121.91483820
_cell_angle_beta   121.91483820
_cell_angle_gamma   86.71421375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BeN)2
_chemical_formula_sum   'Ba2 Be4 N4'
_cell_volume   135.97289375
_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  1  0.75000000  0.75000000  -0.00000000  1.0
  Ba  Ba1  1  0.25000000  0.25000000  -0.00000000  1.0
  Be  Be2  1  0.12856008  0.62856008  0.75712016  1.0
  Be  Be3  1  0.62856008  0.87143992  0.50000000  1.0
  Be  Be4  1  0.37143992  0.12856008  0.50000000  1.0
  Be  Be5  1  0.87143992  0.37143992  0.24287984  1.0
  N  N6  1  0.16605692  0.33394308  0.50000000  1.0
  N  N7  1  0.66605692  0.16605692  0.83211484  1.0
  N  N8  1  0.83394308  0.66605692  0.50000000  1.0
  N  N9  1  0.33394308  0.83394308  0.16788516  1.0