# generated using pymatgen
data_ZrNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81787528
_cell_length_b   9.81787530
_cell_length_c   9.81787589
_cell_angle_alpha   21.22681671
_cell_angle_beta   21.22681715
_cell_angle_gamma   21.22681805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNCl
_chemical_formula_sum   'Zr2 N2 Cl2'
_cell_volume   108.66355579
_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
  Zr  Zr0  1  0.78781857  0.78781857  0.78781857  1.0
  Zr  Zr1  1  0.21218143  0.21218143  0.21218143  1.0
  N  N2  1  0.86314414  0.86314414  0.86314414  1.0
  N  N3  1  0.13685586  0.13685586  0.13685586  1.0
  Cl  Cl4  1  0.39182989  0.39182989  0.39182989  1.0
  Cl  Cl5  1  0.60817011  0.60817011  0.60817011  1.0