# generated using pymatgen
data_Sr2ReNiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80208147
_cell_length_b   6.26016536
_cell_length_c   7.26733887
_cell_angle_alpha   69.60454506
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReNiN4
_chemical_formula_sum   'Sr4 Re2 Ni2 N8'
_cell_volume   247.41619390
_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
  Sr  Sr0  1  0.25000000  0.26710698  0.05632172  1.0
  Sr  Sr1  1  0.75000000  0.73289302  0.94367828  1.0
  Sr  Sr2  1  0.75000000  0.82650878  0.41313582  1.0
  Sr  Sr3  1  0.25000000  0.17349122  0.58686418  1.0
  Re  Re4  1  0.25000000  0.70962571  0.20854768  1.0
  Re  Re5  1  0.75000000  0.29037429  0.79145232  1.0
  Ni  Ni6  1  0.75000000  0.34129551  0.39040056  1.0
  Ni  Ni7  1  0.25000000  0.65870449  0.60959944  1.0
  N  N8  1  0.49778749  0.47440138  0.74563534  1.0
  N  N9  1  0.99778749  0.52559862  0.25436466  1.0
  N  N10  1  0.50221251  0.52559862  0.25436466  1.0
  N  N11  1  0.00221251  0.47440138  0.74563534  1.0
  N  N12  1  0.75000000  0.10068861  0.63278430  1.0
  N  N13  1  0.25000000  0.89931139  0.36721570  1.0
  N  N14  1  0.75000000  0.10440113  0.04513774  1.0
  N  N15  1  0.25000000  0.89559887  0.95486226  1.0