# generated using pymatgen
data_Ba3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79559149
_cell_length_b   7.79559166
_cell_length_c   7.11102095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3N
_chemical_formula_sum   'Ba6 N2'
_cell_volume   374.24906838
_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  -0.00000000  0.73069501  0.75000000  1.0
  Ba  Ba1  1  0.00000000  0.26930499  0.25000000  1.0
  Ba  Ba2  1  0.73069501  0.73069501  0.25000000  1.0
  Ba  Ba3  1  0.73069501  -0.00000000  0.75000000  1.0
  Ba  Ba4  1  0.26930499  0.26930499  0.75000000  1.0
  Ba  Ba5  1  0.26930499  0.00000000  0.25000000  1.0
  N  N6  1  0.00000000  -0.00000000  0.50000000  1.0
  N  N7  1  0.00000000  -0.00000000  0.00000000  1.0