# generated using pymatgen
data_CeBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41872400
_cell_length_b   6.79649540
_cell_length_c   7.70279414
_cell_angle_alpha   106.55512823
_cell_angle_beta   90.18766893
_cell_angle_gamma   115.64397287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeBN2
_chemical_formula_sum   'Ce6 B6 N12'
_cell_volume   287.24348698
_cell_formula_units_Z   6
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
  Ce  Ce0  1  0.53678800  0.77877400  0.06618700  1.0
  Ce  Ce1  1  0.46321200  0.22122600  0.93381300  1.0
  Ce  Ce2  1  0.46504600  0.21764400  0.42429900  1.0
  Ce  Ce3  1  0.53495400  0.78235600  0.57570100  1.0
  Ce  Ce4  1  0.95329400  0.64843900  0.29431200  1.0
  Ce  Ce5  1  0.04670600  0.35156100  0.70568800  1.0
  B  B6  1  0.89927700  0.20523300  0.33165200  1.0
  B  B7  1  0.09922100  0.78379200  0.98787400  1.0
  B  B8  1  0.90077900  0.21620800  0.01212600  1.0
  B  B9  1  0.10072300  0.79476700  0.66834800  1.0
  B  B10  1  0.27776100  0.42922600  0.23053800  1.0
  B  B11  1  0.72223900  0.57077400  0.76946200  1.0
  N  N12  1  0.15433300  0.36824900  0.04495100  1.0
  N  N13  1  0.84566700  0.63175100  0.95504900  1.0
  N  N14  1  0.23129400  0.79885000  0.83024200  1.0
  N  N15  1  0.76306300  0.05370000  0.43126300  1.0
  N  N16  1  0.23693700  0.94630000  0.56873700  1.0
  N  N17  1  0.76870600  0.20115000  0.16975800  1.0
  N  N18  1  0.46786400  0.48245400  0.74723000  1.0
  N  N19  1  0.53213600  0.51754600  0.25277000  1.0
  N  N20  1  0.76397100  0.08348600  0.83390100  1.0
  N  N21  1  0.23602900  0.91651400  0.16609900  1.0
  N  N22  1  0.15100400  0.36953200  0.38438100  1.0
  N  N23  1  0.84899600  0.63046800  0.61561900  1.0