# generated using pymatgen
data_BeCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75270266
_cell_length_b   3.75270200
_cell_length_c   4.37243598
_cell_angle_alpha   115.41246619
_cell_angle_beta   115.41246795
_cell_angle_gamma   90.00000136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCN2
_chemical_formula_sum   'Be2 C2 N4'
_cell_volume   48.94004647
_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  -0.00000000  -0.00000000  -0.00000000  1.0
  Be  Be1  1  0.25000000  0.75000000  0.50000000  1.0
  C  C2  1  0.50000000  0.50000000  -0.00000000  1.0
  C  C3  1  0.75000000  0.25000000  0.50000000  1.0
  N  N4  1  0.42015301  0.37500000  0.25000000  1.0
  N  N5  1  0.12500000  0.57984699  0.75000000  1.0
  N  N6  1  0.62500000  0.17015301  0.75000000  1.0
  N  N7  1  0.82984699  0.87500000  0.25000000  1.0