data_ZrIN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   27.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIN
_chemical_formula_sum   'Zr2 I2 N2'
_cell_volume   327.05
_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  Zr4  1  0.0  0.0  0.25  1.0
  Zr  Zr5  1  0.67  0.33  0.15  1.0
  I  I0  1  0.33  0.67  0.07  1.0
  I  I1  1  0.33  0.67  0.33  1.0
  N  N2  1  0.0  0.0  0.17  1.0
  N  N3  1  0.67  0.33  0.23  1.0

Zr Zr I I N N 0 5 - - o 0 5 - o o 0 5 o o o 0 4 o o o 0 3 o o o 0 3 o - o 0 3 - - o 1 4 o o o 1 4 + o o 1 4 + + o 1 5 o o o 1 2 + o o 1 2 o o o 1 2 o - o 2 4 o o o 2 4 o + o 2 4 + + o 2 2 + + o 2 2 o + o 2 2 + o o 3 5 - o o 3 5 o o o 3 5 o + o 3 3 + + o 3 3 o + o 3 3 + o o 
data_ZrIN
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   27.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   ZrIN
_chemical_formula_sum   'Zr2 I2 N2'
_cell_volume   327.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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  2  0.33  0.67  0.95  1.0
  I  I1  2  0.0  0.0  0.13  1.0
  N  N2  2  0.33  0.67  0.03  1.0
