# generated using pymatgen
data_Zr8Sc2N9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60470463
_cell_length_b   6.45573671
_cell_length_c   7.24535544
_cell_angle_alpha   77.10707585
_cell_angle_beta   75.16992109
_cell_angle_gamma   73.12914482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Sc2N9
_chemical_formula_sum   'Zr8 Sc2 N9'
_cell_volume   239.35559011
_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  0.89253005  0.60346105  0.19304131  1.0
  Zr  Zr1  1  0.10442373  0.89836296  0.79830646  1.0
  Zr  Zr2  1  0.89557627  0.10163704  0.20169354  1.0
  Zr  Zr3  1  0.10746995  0.39653895  0.80695869  1.0
  Zr  Zr4  1  0.31001364  0.70439501  0.39480894  1.0
  Zr  Zr5  1  0.30718425  0.19434654  0.39393131  1.0
  Zr  Zr6  1  0.68998636  0.29560499  0.60519106  1.0
  Zr  Zr7  1  0.69281575  0.80565346  0.60606869  1.0
  Sc  Sc8  1  0.50000000  0.00000000  0.00000000  1.0
  Sc  Sc9  1  0.50000000  0.50000000  0.00000000  1.0
  N  N10  1  0.79927591  0.69961565  0.90226425  1.0
  N  N11  1  0.79838201  0.19899044  0.90202909  1.0
  N  N12  1  0.20161799  0.80100956  0.09797091  1.0
  N  N13  1  0.00000000  0.00000000  0.50000000  1.0
  N  N14  1  0.39957379  0.09951889  0.70258647  1.0
  N  N15  1  0.20072409  0.30038435  0.09773575  1.0
  N  N16  1  0.60050800  0.40092538  0.29558651  1.0
  N  N17  1  0.39949200  0.59907462  0.70441349  1.0
  N  N18  1  0.60042621  0.90048111  0.29741353  1.0