# generated using pymatgen
data_Ba8Ni6N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67205720
_cell_length_b   9.67205720
_cell_length_c   12.09413008
_cell_angle_alpha   81.60373956
_cell_angle_beta   81.60373956
_cell_angle_gamma   120.47804745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Ni6N7
_chemical_formula_sum   'Ba16 Ni12 N14'
_cell_volume   931.91676813
_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  0.91740700  0.08259300  0.75000000  1.0
  Ba  Ba1  1  0.08259300  0.91740700  0.25000000  1.0
  Ba  Ba2  1  0.24718600  0.75281400  0.75000000  1.0
  Ba  Ba3  1  0.75281400  0.24718600  0.25000000  1.0
  Ba  Ba4  1  0.88310700  0.70363400  0.59889300  1.0
  Ba  Ba5  1  0.29636600  0.11689300  0.90110700  1.0
  Ba  Ba6  1  0.11689300  0.29636600  0.40110700  1.0
  Ba  Ba7  1  0.70363400  0.88310700  0.09889300  1.0
  Ba  Ba8  1  0.23199000  0.63645200  0.10334600  1.0
  Ba  Ba9  1  0.36354800  0.76801000  0.39665400  1.0
  Ba  Ba10  1  0.76801000  0.36354800  0.89665400  1.0
  Ba  Ba11  1  0.63645200  0.23199000  0.60334600  1.0
  Ba  Ba12  1  0.61795600  0.55351200  0.35716400  1.0
  Ba  Ba13  1  0.44648800  0.38204400  0.14283600  1.0
  Ba  Ba14  1  0.38204400  0.44648800  0.64283600  1.0
  Ba  Ba15  1  0.55351200  0.61795600  0.85716400  1.0
  Ni  Ni16  1  0.21757900  0.05940900  0.61418700  1.0
  Ni  Ni17  1  0.94059100  0.78242100  0.88581300  1.0
  Ni  Ni18  1  0.87198300  0.63399600  0.10106700  1.0
  Ni  Ni19  1  0.36600400  0.12801700  0.39893300  1.0
  Ni  Ni20  1  0.12801700  0.36600400  0.89893300  1.0
  Ni  Ni21  1  0.63399600  0.87198300  0.60106700  1.0
  Ni  Ni22  1  0.45719900  0.04084900  0.13246700  1.0
  Ni  Ni23  1  0.95915100  0.54280100  0.36753300  1.0
  Ni  Ni24  1  0.54280100  0.95915100  0.86753300  1.0
  Ni  Ni25  1  0.04084900  0.45719900  0.63246700  1.0
  Ni  Ni26  1  0.05940900  0.21757900  0.11418700  1.0
  Ni  Ni27  1  0.78242100  0.94059100  0.38581300  1.0
  N  N28  1  0.00000000  0.50000000  0.50000000  1.0
  N  N29  1  0.50000000  0.00000000  0.00000000  1.0
  N  N30  1  0.59303800  0.40696200  0.75000000  1.0
  N  N31  1  0.40696200  0.59303800  0.25000000  1.0
  N  N32  1  0.08494800  0.91505200  0.75000000  1.0
  N  N33  1  0.91505200  0.08494800  0.25000000  1.0
  N  N34  1  0.63754000  0.75365400  0.49992900  1.0
  N  N35  1  0.24634600  0.36246000  0.00007100  1.0
  N  N36  1  0.36246000  0.24634600  0.50007100  1.0
  N  N37  1  0.75365400  0.63754000  0.99992900  1.0
  N  N38  1  0.59262600  0.93110200  0.72881500  1.0
  N  N39  1  0.06889800  0.40737400  0.77118500  1.0
  N  N40  1  0.40737400  0.06889800  0.27118500  1.0
  N  N41  1  0.93110200  0.59262600  0.22881500  1.0