# generated using pymatgen
data_NaCe3(NCl)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79512407
_cell_length_b   6.79512383
_cell_length_c   10.50978668
_cell_angle_alpha   83.82020632
_cell_angle_beta   83.82020767
_cell_angle_gamma   120.02253923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCe3(NCl)3
_chemical_formula_sum   'Na2 Ce6 N6 Cl6'
_cell_volume   410.30541168
_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
  Na  Na0  1  0.66663738  0.33336262  0.00000000  1.0
  Na  Na1  1  0.33336262  0.66663738  1.00000000  1.0
  Ce  Ce2  1  0.21195283  0.21195283  0.36342170  1.0
  Ce  Ce3  1  0.54574333  0.87858593  0.36423260  1.0
  Ce  Ce4  1  0.87858593  0.54574333  0.36423260  1.0
  Ce  Ce5  1  0.12141407  0.45425667  0.63576740  1.0
  Ce  Ce6  1  0.45425667  0.12141407  0.63576740  1.0
  Ce  Ce7  1  0.78804717  0.78804717  0.63657830  1.0
  N  N8  1  0.13835226  0.13835226  0.58747193  1.0
  N  N9  1  0.47051663  0.80462099  0.58653276  1.0
  N  N10  1  0.80462099  0.47051663  0.58653276  1.0
  N  N11  1  0.19537901  0.52948337  0.41346724  1.0
  N  N12  1  0.52948337  0.19537901  0.41346724  1.0
  N  N13  1  0.86164774  0.86164774  0.41252807  1.0
  Cl  Cl14  1  0.05435559  0.71293808  0.83724808  1.0
  Cl  Cl15  1  0.39503852  0.39503852  0.83735141  1.0
  Cl  Cl16  1  0.71293808  0.05435559  0.83724808  1.0
  Cl  Cl17  1  0.28706192  0.94564441  0.16275192  1.0
  Cl  Cl18  1  0.60496148  0.60496148  0.16264859  1.0
  Cl  Cl19  1  0.94564441  0.28706192  0.16275192  1.0