# generated using pymatgen
data_Ba3CoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10691053
_cell_length_b   8.11015324
_cell_length_c   5.63252700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02822004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CoN3
_chemical_formula_sum   'Ba6 Co2 N6'
_cell_volume   320.62308321
_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  0.91828500  0.63600300  0.25000000  1.0
  Ba  Ba1  1  0.71794600  0.08183100  0.25000000  1.0
  Ba  Ba2  1  0.36389900  0.28245300  0.25000000  1.0
  Ba  Ba3  1  0.08171500  0.36399700  0.75000000  1.0
  Ba  Ba4  1  0.28205400  0.91816900  0.75000000  1.0
  Ba  Ba5  1  0.63610100  0.71754700  0.75000000  1.0
  Co  Co6  1  0.66665600  0.33308900  0.75000000  1.0
  Co  Co7  1  0.33334400  0.66691100  0.25000000  1.0
  N  N8  1  0.87182700  0.55888400  0.75000000  1.0
  N  N9  1  0.68682700  0.12812500  0.75000000  1.0
  N  N10  1  0.44144800  0.31344400  0.75000000  1.0
  N  N11  1  0.12817300  0.44111600  0.25000000  1.0
  N  N12  1  0.31317300  0.87187500  0.25000000  1.0
  N  N13  1  0.55855200  0.68655600  0.25000000  1.0