# generated using pymatgen
data_Ba3Co3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36702221
_cell_length_b   7.83464062
_cell_length_c   8.83806990
_cell_angle_alpha   102.73102703
_cell_angle_beta   113.35234304
_cell_angle_gamma   100.88650060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Co3N5
_chemical_formula_sum   'Ba6 Co6 N10'
_cell_volume   375.55732287
_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  0.76118500  0.42365700  0.61229300  1.0
  Ba  Ba1  1  0.23881500  0.57634300  0.38770700  1.0
  Ba  Ba2  1  0.64875700  0.87589100  0.86038900  1.0
  Ba  Ba3  1  0.35124300  0.12410900  0.13961100  1.0
  Ba  Ba4  1  0.70150200  0.71550200  0.22881400  1.0
  Ba  Ba5  1  0.29849800  0.28449800  0.77118600  1.0
  Co  Co6  1  0.90337800  0.33066200  0.97336100  1.0
  Co  Co7  1  0.09662200  0.66933800  0.02663900  1.0
  Co  Co8  1  0.75390100  0.00411000  0.57613700  1.0
  Co  Co9  1  0.24609900  0.99589000  0.42386300  1.0
  Co  Co10  1  0.05015300  0.83282000  0.68278200  1.0
  Co  Co11  1  0.94984700  0.16718000  0.31721800  1.0
  N  N12  1  0.81832200  0.16100600  0.77453000  1.0
  N  N13  1  0.18167800  0.83899400  0.22547000  1.0
  N  N14  1  0.72255500  0.76093600  0.55477900  1.0
  N  N15  1  0.27744500  0.23906400  0.44522100  1.0
  N  N16  1  0.77330900  0.52800500  0.93539100  1.0
  N  N17  1  0.22669100  0.47199500  0.06460900  1.0
  N  N18  1  0.22843400  0.91273700  0.58854800  1.0
  N  N19  1  0.77156600  0.08726300  0.41145200  1.0
  N  N20  1  0.15518300  0.77102100  0.87242200  1.0
  N  N21  1  0.84481700  0.22897900  0.12757800  1.0