# generated using pymatgen
data_BaReNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25913975
_cell_length_b   5.63259414
_cell_length_c   5.66156252
_cell_angle_alpha   90.00064994
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReNO2
_chemical_formula_sum   'Ba4 Re4 N4 O8'
_cell_volume   263.37805197
_cell_formula_units_Z   4
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  0.75023420  0.99992802  0.99969218  1.0
  Ba  Ba1  1  0.74995351  0.49991579  0.49976870  1.0
  Ba  Ba2  1  0.24995351  0.50008421  0.50023130  1.0
  Ba  Ba3  1  0.25023420  0.00007198  0.00030782  1.0
  Re  Re4  1  0.50006512  0.00018133  0.52569475  1.0
  Re  Re5  1  0.00006512  0.99981867  0.47430525  1.0
  Re  Re6  1  0.00006796  0.49981563  0.02570933  1.0
  Re  Re7  1  0.50006796  0.50018437  0.97429067  1.0
  N  N8  1  0.00018836  0.74950635  0.25038356  1.0
  N  N9  1  0.50026583  0.75050958  0.75037221  1.0
  N  N10  1  0.00026583  0.24949042  0.24962779  1.0
  N  N11  1  0.50018836  0.25049365  0.74961644  1.0
  O  O12  1  0.49971684  0.74959594  0.25051541  1.0
  O  O13  1  0.74997521  0.49973161  0.00059359  1.0
  O  O14  1  0.24993400  0.99991163  0.50094580  1.0
  O  O15  1  0.99959799  0.75046084  0.75043790  1.0
  O  O16  1  0.49959799  0.24953916  0.24956210  1.0
  O  O17  1  0.24997521  0.50026839  0.99940641  1.0
  O  O18  1  0.74993400  0.00008837  0.49905420  1.0
  O  O19  1  0.99971684  0.25040406  0.74948459  1.0