# generated using pymatgen
data_BaSnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15585700
_cell_length_b   4.15585700
_cell_length_c   8.57910300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnN2
_chemical_formula_sum   'Ba2 Sn2 N4'
_cell_volume   148.17095251
_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  0.75000000  0.75000000  0.15111600  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.84888400  1.0
  Sn  Sn2  1  0.75000000  0.75000000  0.60171600  1.0
  Sn  Sn3  1  0.25000000  0.25000000  0.39828400  1.0
  N  N4  1  0.75000000  0.25000000  0.50000000  1.0
  N  N5  1  0.25000000  0.75000000  0.50000000  1.0
  N  N6  1  0.75000000  0.75000000  0.84051500  1.0
  N  N7  1  0.25000000  0.25000000  0.15948500  1.0