# generated using pymatgen
data_Ba(NiN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18563083
_cell_length_b   6.19522123
_cell_length_c   8.73421819
_cell_angle_alpha   89.99999309
_cell_angle_beta   45.08890556
_cell_angle_gamma   59.94868695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(NiN)2
_chemical_formula_sum   'Ba2 Ni4 N4'
_cell_volume   167.61298028
_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  0.00000000  0.25000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni2  1  0.73820800  0.50000000  0.63089500  1.0
  Ni  Ni3  1  0.26179200  0.50000000  0.36910500  1.0
  Ni  Ni4  1  0.26179200  0.23820800  0.86910500  1.0
  Ni  Ni5  1  0.73820800  0.76179200  0.13089500  1.0
  N  N6  1  0.66469200  0.50000000  0.16765400  1.0
  N  N7  1  0.33530800  0.50000000  0.83234600  1.0
  N  N8  1  0.33530800  0.16469200  0.33234600  1.0
  N  N9  1  0.66469200  0.83530800  0.66765400  1.0