# generated using pymatgen
data_LiBeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50897020
_cell_length_b   4.71703476
_cell_length_c   4.86239512
_cell_angle_alpha   90.00000000
_cell_angle_beta   103.81388041
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeN
_chemical_formula_sum   'Li4 Be4 N4'
_cell_volume   100.42691398
_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
  Li  Li0  1  0.23583326  0.45799116  0.91298375  1
  Li  Li1  1  0.26416674  0.95799116  0.58701625  1
  Li  Li2  1  0.76416674  0.54200884  0.08701625  1
  Li  Li3  1  0.73583326  0.04200884  0.41298375  1
  Be  Be4  1  0.68929075  0.60590243  0.60600025  1
  Be  Be5  1  0.81070925  0.10590243  0.89399975  1
  Be  Be6  1  0.31070925  0.39409757  0.39399975  1
  Be  Be7  1  0.18929075  0.89409757  0.10600025  1
  N  N8  1  0.95286279  0.80333655  0.79975985  1
  N  N9  1  0.54713721  0.30333655  0.70024015  1
  N  N10  1  0.04713721  0.19666345  0.20024015  1
  N  N11  1  0.45286279  0.69666345  0.29975985  1
