# generated using pymatgen
data_KBaNi3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31260667
_cell_length_b   6.31260772
_cell_length_c   7.36220194
_cell_angle_alpha   91.13687416
_cell_angle_beta   88.86312817
_cell_angle_gamma   113.05234513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaNi3N2
_chemical_formula_sum   'K2 Ba2 Ni6 N4'
_cell_volume   269.87323597
_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
  K  K0  1  0.83453473  0.17153754  0.91302112  1.0
  K  K1  1  0.17153754  0.83453473  0.08697888  1.0
  Ba  Ba2  1  0.66986030  0.33323300  0.40262669  1.0
  Ba  Ba3  1  0.33323300  0.66986030  0.59737331  1.0
  Ni  Ni4  1  0.17404729  0.31979141  0.26315189  1.0
  Ni  Ni5  1  0.31979141  0.17404729  0.73684811  1.0
  Ni  Ni6  1  0.82082393  0.67496389  0.75678813  1.0
  Ni  Ni7  1  0.67496389  0.82082393  0.24321187  1.0
  Ni  Ni8  1  0.03648187  0.03648187  0.50000000  1.0
  Ni  Ni9  1  0.52748109  0.52748109  0.00000000  1.0
  N  N10  1  0.92264200  0.06564407  0.28160255  1.0
  N  N11  1  0.06564407  0.92264200  0.71839745  1.0
  N  N12  1  0.56905860  0.42089828  0.77605944  1.0
  N  N13  1  0.42089828  0.56905860  0.22394056  1.0