# generated using pymatgen
data_Ba2NF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02164504
_cell_length_b   4.02164518
_cell_length_c   7.06740485
_cell_angle_alpha   73.46979825
_cell_angle_beta   73.46980731
_cell_angle_gamma   59.99999028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NF
_chemical_formula_sum   'Ba2 N1 F1'
_cell_volume   93.49665135
_cell_formula_units_Z   1
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  0.75764068  0.75764068  0.72707995  1.0
  Ba  Ba1  1  0.24235932  0.24235932  0.27292005  1.0
  N  N2  1  0.50000000  0.50000000  0.50000000  1.0
  F  F3  1  -0.00000000  -0.00000000  0.00000000  1.0