# generated using pymatgen
data_BeCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23927908
_cell_length_b   4.39677394
_cell_length_c   5.28857009
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCN2
_chemical_formula_sum   'Be4 C4 N8'
_cell_volume   98.57446062
_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
  Be  Be0  1  0.99272786  0.58624340  0.87498958  1.0
  Be  Be1  1  0.49272786  0.41375660  0.12501042  1.0
  Be  Be2  1  0.49272786  0.91375660  0.37498958  1.0
  Be  Be3  1  0.99272786  0.08624340  0.62501042  1.0
  C  C4  1  0.99439394  0.56805158  0.37495484  1.0
  C  C5  1  0.49439394  0.43194842  0.62504516  1.0
  C  C6  1  0.49439394  0.93194842  0.87495484  1.0
  C  C7  1  0.99439394  0.06805158  0.12504516  1.0
  N  N8  1  0.34905303  0.55864591  0.39672424  1.0
  N  N9  1  0.84905303  0.44135409  0.60327576  1.0
  N  N10  1  0.84905303  0.94135409  0.89672424  1.0
  N  N11  1  0.34905303  0.05864591  0.10327576  1.0
  N  N12  1  0.39182617  0.60755025  0.85257565  1.0
  N  N13  1  0.89182617  0.39244975  0.14742435  1.0
  N  N14  1  0.89182617  0.89244975  0.35257565  1.0
  N  N15  1  0.39182617  0.10755025  0.64742435  1.0