# generated using pymatgen
data_Ba3TiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26214600
_cell_length_b   10.26197454
_cell_length_c   4.48080900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00194458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3TiN3
_chemical_formula_sum   'Ba6 Ti2 N6'
_cell_volume   408.64639818
_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  0.99527700  0.65346900  0.25000000  1.0
  Ba  Ba1  1  0.65819100  0.00474100  0.25000000  1.0
  Ba  Ba2  1  0.34653100  0.34179400  0.25000000  1.0
  Ba  Ba3  1  0.00472300  0.34653100  0.75000000  1.0
  Ba  Ba4  1  0.34180900  0.99525900  0.75000000  1.0
  Ba  Ba5  1  0.65346900  0.65820600  0.75000000  1.0
  Ti  Ti6  1  0.66665600  0.33334200  0.75000000  1.0
  Ti  Ti7  1  0.33334400  0.66665800  0.25000000  1.0
  N  N8  1  0.85152700  0.51615100  0.75000000  1.0
  N  N9  1  0.66461000  0.14849500  0.75000000  1.0
  N  N10  1  0.48387200  0.33538900  0.75000000  1.0
  N  N11  1  0.14847300  0.48384900  0.25000000  1.0
  N  N12  1  0.33539000  0.85150500  0.25000000  1.0
  N  N13  1  0.51612800  0.66461100  0.25000000  1.0