# generated using pymatgen
data_SrCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36473302
_cell_length_b   9.04270999
_cell_length_c   13.21425380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuN
_chemical_formula_sum   'Sr12 Cu12 N12'
_cell_volume   641.04624476
_cell_formula_units_Z   12
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  0.00369307  0.02029969  0.25000000  1.0
  Sr  Sr1  1  0.50369307  0.47970031  0.75000000  1.0
  Sr  Sr2  1  0.49630693  0.52029969  0.25000000  1.0
  Sr  Sr3  1  0.99630693  0.97970031  0.75000000  1.0
  Sr  Sr4  1  0.01648345  0.33882264  0.08629186  1.0
  Sr  Sr5  1  0.51648345  0.16117736  0.91370814  1.0
  Sr  Sr6  1  0.98351655  0.66117736  0.91370814  1.0
  Sr  Sr7  1  0.48351655  0.83882264  0.41370814  1.0
  Sr  Sr8  1  0.98351655  0.66117736  0.58629186  1.0
  Sr  Sr9  1  0.01648345  0.33882264  0.41370814  1.0
  Sr  Sr10  1  0.51648345  0.16117736  0.58629186  1.0
  Sr  Sr11  1  0.48351655  0.83882264  0.08629186  1.0
  Cu  Cu12  1  0.51536064  0.17555452  0.15726015  1.0
  Cu  Cu13  1  -0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu14  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu15  1  0.50000000  0.50000000  -0.00000000  1.0
  Cu  Cu16  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu17  1  0.01536064  0.32444548  0.84273985  1.0
  Cu  Cu18  1  0.98463936  0.67555452  0.15726015  1.0
  Cu  Cu19  1  0.48463936  0.82444548  0.65726015  1.0
  Cu  Cu20  1  0.48463936  0.82444548  0.84273985  1.0
  Cu  Cu21  1  0.51536064  0.17555452  0.34273985  1.0
  Cu  Cu22  1  0.01536064  0.32444548  0.65726015  1.0
  Cu  Cu23  1  0.98463936  0.67555452  0.34273985  1.0
  N  N24  1  0.73931778  0.58695835  0.41969528  1.0
  N  N25  1  0.71267785  0.74366602  0.75000000  1.0
  N  N26  1  0.21267785  0.75633398  0.25000000  1.0
  N  N27  1  0.78732215  0.24366602  0.75000000  1.0
  N  N28  1  0.28732215  0.25633398  0.25000000  1.0
  N  N29  1  0.76068222  0.08695835  0.41969528  1.0
  N  N30  1  0.26068222  0.41304165  0.58030472  1.0
  N  N31  1  0.73931778  0.58695835  0.08030472  1.0
  N  N32  1  0.23931778  0.91304165  0.91969528  1.0
  N  N33  1  0.23931778  0.91304165  0.58030472  1.0
  N  N34  1  0.26068222  0.41304165  0.91969528  1.0
  N  N35  1  0.76068222  0.08695835  0.08030472  1.0