# generated using pymatgen
data_ZrC8(NCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01663118
_cell_length_b   8.01663118
_cell_length_c   8.01663188
_cell_angle_alpha   55.45573267
_cell_angle_beta   55.45573267
_cell_angle_gamma   55.45572874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC8(NCl3)2
_chemical_formula_sum   'Zr1 C8 N2 Cl6'
_cell_volume   325.85667376
_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  0.00264586  0.00264586  0.00264586  1.0
  C  C1  1  0.06990921  0.35269150  0.35269150  1.0
  C  C2  1  0.35269150  0.35269150  0.06990921  1.0
  C  C3  1  0.35269150  0.06990921  0.35269150  1.0
  C  C4  1  0.30068762  0.30068762  0.30068762  1.0
  C  C5  1  0.90120703  0.66000598  0.66000598  1.0
  C  C6  1  0.66000598  0.66000598  0.90120703  1.0
  C  C7  1  0.66000598  0.90120703  0.66000598  1.0
  C  C8  1  0.68794946  0.68794946  0.68794946  1.0
  N  N9  1  0.21428875  0.21428875  0.21428875  1.0
  N  N10  1  0.79211107  0.79211107  0.79211107  1.0
  Cl  Cl11  1  0.76190369  0.22811971  0.22811971  1.0
  Cl  Cl12  1  0.77504168  0.77504168  0.23519856  1.0
  Cl  Cl13  1  0.77504168  0.23519856  0.77504168  1.0
  Cl  Cl14  1  0.23519856  0.77504168  0.77504168  1.0
  Cl  Cl15  1  0.22811971  0.22811971  0.76190369  1.0
  Cl  Cl16  1  0.22811971  0.76190369  0.22811971  1.0