# generated using pymatgen
data_Ba3CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88024601
_cell_length_b   8.87972264
_cell_length_c   4.84286100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99624976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CN3
_chemical_formula_sum   'Ba6 C2 N6'
_cell_volume   330.72988836
_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  0.95726600  0.63962000  0.25000000  1.0
  Ba  Ba1  1  0.68236600  0.04274600  0.25000000  1.0
  Ba  Ba2  1  0.36038300  0.31763100  0.25000000  1.0
  Ba  Ba3  1  0.04273400  0.36038000  0.75000000  1.0
  Ba  Ba4  1  0.31763400  0.95725400  0.75000000  1.0
  Ba  Ba5  1  0.63961700  0.68236900  0.75000000  1.0
  C  C6  1  0.66666500  0.33327600  0.75000000  1.0
  C  C7  1  0.33333500  0.66672400  0.25000000  1.0
  N  N8  1  0.81918200  0.49572300  0.75000000  1.0
  N  N9  1  0.67653600  0.18087600  0.75000000  1.0
  N  N10  1  0.50428600  0.32347000  0.75000000  1.0
  N  N11  1  0.18081800  0.50427700  0.25000000  1.0
  N  N12  1  0.32346400  0.81912400  0.25000000  1.0
  N  N13  1  0.49571400  0.67653000  0.25000000  1.0