# generated using pymatgen
data_Ba2ReNiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98442405
_cell_length_b   6.49764528
_cell_length_c   7.88991913
_cell_angle_alpha   66.88921051
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ReNiN4
_chemical_formula_sum   'Ba4 Re2 Ni2 N8'
_cell_volume   282.17567491
_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  0.25000000  0.26924185  0.04738541  1.0
  Ba  Ba1  1  0.75000000  0.73075815  0.95261459  1.0
  Ba  Ba2  1  0.75000000  0.84517395  0.40625169  1.0
  Ba  Ba3  1  0.25000000  0.15482605  0.59374831  1.0
  Re  Re4  1  0.25000000  0.68827186  0.22336320  1.0
  Re  Re5  1  0.75000000  0.31172814  0.77663680  1.0
  Ni  Ni6  1  0.75000000  0.35685002  0.39369204  1.0
  Ni  Ni7  1  0.25000000  0.64314998  0.60630796  1.0
  N  N8  1  0.50388408  0.49493241  0.72629210  1.0
  N  N9  1  0.00388408  0.50506759  0.27370790  1.0
  N  N10  1  0.49611592  0.50506759  0.27370790  1.0
  N  N11  1  0.99611592  0.49493241  0.72629210  1.0
  N  N12  1  0.75000000  0.13453818  0.63454720  1.0
  N  N13  1  0.25000000  0.86546182  0.36545280  1.0
  N  N14  1  0.75000000  0.12960461  0.01863857  1.0
  N  N15  1  0.25000000  0.87039539  0.98136143  1.0