# generated using pymatgen
data_Ba2LiReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06459700
_cell_length_b   6.59054900
_cell_length_c   7.59404160
_cell_angle_alpha   70.10946368
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiReN4
_chemical_formula_sum   'Ba4 Li2 Re2 N8'
_cell_volume   285.41935776
_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  0.26590300  0.05216200  1
  Ba  Ba1  1  0.75000000  0.73409700  0.94783800  1
  Ba  Ba2  1  0.75000000  0.81084200  0.42036200  1
  Ba  Ba3  1  0.25000000  0.18915800  0.57963800  1
  Li  Li4  1  0.75000000  0.35130000  0.36950800  1
  Li  Li5  1  0.25000000  0.64870000  0.63049200  1
  Re  Re6  1  0.25000000  0.70835800  0.21440100  1
  Re  Re7  1  0.75000000  0.29164200  0.78559900  1
  N  N8  1  0.50732800  0.46809900  0.73397700  1
  N  N9  1  0.00732800  0.53190100  0.26602300  1
  N  N10  1  0.49267200  0.53190100  0.26602300  1
  N  N11  1  0.99267200  0.46809900  0.73397700  1
  N  N12  1  0.75000000  0.11820800  0.63489800  1
  N  N13  1  0.25000000  0.88179200  0.36510200  1
  N  N14  1  0.75000000  0.12532400  0.03303200  1
  N  N15  1  0.25000000  0.87467600  0.96696800  1
