# generated using pymatgen
data_Ba2N2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12347308
_cell_length_b   8.12347303
_cell_length_c   7.22234387
_cell_angle_alpha   101.34231013
_cell_angle_beta   101.34231059
_cell_angle_gamma   31.17768287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2N2Cl
_chemical_formula_sum   'Ba4 N4 Cl2'
_cell_volume   241.53921292
_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  0.85354515  0.43559065  0.15244678  1.0
  Ba  Ba1  1  0.56440935  0.14645485  0.34755422  1.0
  Ba  Ba2  1  0.43559165  0.85354515  0.65244678  1.0
  Ba  Ba3  1  0.14645485  0.56440935  0.84755422  1.0
  N  N4  1  0.37104542  0.08054997  0.02561040  1.0
  N  N5  1  0.91945003  0.62895458  0.47439060  1.0
  N  N6  1  0.08054997  0.37104642  0.52561040  1.0
  N  N7  1  0.62895458  0.91945003  0.97439060  1.0
  Cl  Cl8  1  0.22003760  0.77996240  0.25000000  1.0
  Cl  Cl9  1  0.77996240  0.22003760  0.75000000  1.0