# generated using pymatgen
data_Zr12Ti5Pd7N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67223142
_cell_length_b   8.70573897
_cell_length_c   8.67223361
_cell_angle_alpha   60.12723841
_cell_angle_beta   59.99999916
_cell_angle_gamma   60.12723004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr12Ti5Pd7N4
_chemical_formula_sum   'Zr12 Ti5 Pd7 N4'
_cell_volume   463.85795295
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.81458845  0.19388341  0.17693869  1.0
  Zr  Zr1  1  0.18286940  0.81795113  0.18286940  1.0
  Zr  Zr2  1  0.81631007  0.81795113  0.18286940  1.0
  Zr  Zr3  1  0.18286940  0.81795113  0.81631007  1.0
  Zr  Zr4  1  0.81458845  0.19388341  0.81458845  1.0
  Zr  Zr5  1  0.17693869  0.19388341  0.81458845  1.0
  Zr  Zr6  1  0.43542813  0.06569227  0.06345147  1.0
  Zr  Zr7  1  0.06303725  0.43420172  0.06303725  1.0
  Zr  Zr8  1  0.43972478  0.43420172  0.06303725  1.0
  Zr  Zr9  1  0.06303725  0.43420172  0.43972478  1.0
  Zr  Zr10  1  0.43542813  0.06569227  0.43542813  1.0
  Zr  Zr11  1  0.06345147  0.06569227  0.43542813  1.0
  Ti  Ti12  1  0.83072303  0.50783092  0.83072303  1.0
  Ti  Ti13  1  0.62170452  0.62303917  0.13355180  1.0
  Ti  Ti14  1  0.62170452  0.62303917  0.62170452  1.0
  Ti  Ti15  1  0.13355180  0.62303917  0.62170452  1.0
  Ti  Ti16  1  0.62751477  0.11745569  0.62751477  1.0
  Pd  Pd17  1  0.41826867  0.41060800  0.75285465  1.0
  Pd  Pd18  1  0.41826867  0.41060800  0.41826867  1.0
  Pd  Pd19  1  0.75285465  0.41060800  0.41826867  1.0
  Pd  Pd20  1  0.41455017  0.75634950  0.41455017  1.0
  Pd  Pd21  1  0.83643507  0.82907691  0.49805496  1.0
  Pd  Pd22  1  0.83643507  0.82907691  0.83643507  1.0
  Pd  Pd23  1  0.49805496  0.82907691  0.83643507  1.0
  N  N24  1  0.12659333  0.12197435  0.62483798  1.0
  N  N25  1  0.12659333  0.12197435  0.12659333  1.0
  N  N26  1  0.62483798  0.12197435  0.12659333  1.0
  N  N27  1  0.12363899  0.62908203  0.12363899  1.0