# generated using pymatgen
data_Ba3NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01391323
_cell_length_b   8.03042188
_cell_length_c   5.68647400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95986304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3NiN3
_chemical_formula_sum   'Ba6 Ni2 N6'
_cell_volume   317.05323872
_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  0.91829000  0.63520300  0.25000000  1.0
  Ba  Ba1  1  0.71643500  0.07919400  0.25000000  1.0
  Ba  Ba2  1  0.36420900  0.28328800  0.25000000  1.0
  Ba  Ba3  1  0.08171000  0.36479700  0.75000000  1.0
  Ba  Ba4  1  0.28356500  0.92080600  0.75000000  1.0
  Ba  Ba5  1  0.63579100  0.71671200  0.75000000  1.0
  Ni  Ni6  1  0.66633500  0.33391100  0.75000000  1.0
  Ni  Ni7  1  0.33366500  0.66608900  0.25000000  1.0
  N  N8  1  0.88040700  0.56602200  0.75000000  1.0
  N  N9  1  0.68302300  0.11947700  0.75000000  1.0
  N  N10  1  0.43356100  0.31540600  0.75000000  1.0
  N  N11  1  0.11959300  0.43397800  0.25000000  1.0
  N  N12  1  0.31697700  0.88052300  0.25000000  1.0
  N  N13  1  0.56643900  0.68459400  0.25000000  1.0