# generated using pymatgen
data_NiC4NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50811052
_cell_length_b   8.50811052
_cell_length_c   5.76457600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiC4NCl3
_chemical_formula_sum   'Ni2 C8 N2 Cl6'
_cell_volume   361.38009592
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.50612900  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00612900  1.0
  C  C2  1  0.66666700  0.33333300  0.56880600  1.0
  C  C3  1  0.33333300  0.66666700  0.06880600  1.0
  C  C4  1  0.62972400  0.19419100  0.75015900  1.0
  C  C5  1  0.56446700  0.37027600  0.75015900  1.0
  C  C6  1  0.80580900  0.43553300  0.75015900  1.0
  C  C7  1  0.37027600  0.80580900  0.25015900  1.0
  C  C8  1  0.43553300  0.62972400  0.25015900  1.0
  C  C9  1  0.19419100  0.56446700  0.25015900  1.0
  N  N10  1  0.66666700  0.33333300  0.92992400  1.0
  N  N11  1  0.33333300  0.66666700  0.42992400  1.0
  Cl  Cl12  1  0.84090500  0.07981600  0.25638400  1.0
  Cl  Cl13  1  0.23891100  0.15909500  0.25638400  1.0
  Cl  Cl14  1  0.92018400  0.76108900  0.25638400  1.0
  Cl  Cl15  1  0.15909500  0.92018400  0.75638400  1.0
  Cl  Cl16  1  0.76108900  0.84090500  0.75638400  1.0
  Cl  Cl17  1  0.07981600  0.23891100  0.75638400  1.0