# generated using pymatgen
data_ZrNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73152996
_cell_length_b   9.73153004
_cell_length_c   9.73152956
_cell_angle_alpha   21.41792582
_cell_angle_beta   21.41791685
_cell_angle_gamma   21.41793297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNCl
_chemical_formula_sum   'Zr2 N2 Cl2'
_cell_volume   107.66776975
_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  0.12072310  0.12072310  0.12072310  1.0
  Zr  Zr1  1  0.87927690  0.87927690  0.87927690  1.0
  N  N2  1  0.19676308  0.19676308  0.19676308  1.0
  N  N3  1  0.80323792  0.80323792  0.80323792  1.0
  Cl  Cl4  1  0.39082161  0.39082161  0.39082161  1.0
  Cl  Cl5  1  0.60917839  0.60917839  0.60917839  1.0