# generated using pymatgen
data_Mo2(NCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25711839
_cell_length_b   7.25711839
_cell_length_c   17.12849300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2(NCl3)3
_chemical_formula_sum   'Mo4 N6 Cl18'
_cell_volume   781.22869539
_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
  Mo  Mo0  1  0.33333300  0.66666700  0.66893100  1.0
  Mo  Mo1  1  0.66666700  0.33333300  0.33106900  1.0
  Mo  Mo2  1  0.66666700  0.33333300  0.16893100  1.0
  Mo  Mo3  1  0.33333300  0.66666700  0.83106900  1.0
  N  N4  1  0.00000000  0.00000000  0.25000000  1.0
  N  N5  1  0.00000000  0.00000000  0.75000000  1.0
  N  N6  1  0.33333300  0.66666700  0.42941400  1.0
  N  N7  1  0.66666700  0.33333300  0.57058600  1.0
  N  N8  1  0.66666700  0.33333300  0.92941400  1.0
  N  N9  1  0.33333300  0.66666700  0.07058600  1.0
  Cl  Cl10  1  0.50362800  0.49637200  0.25000000  1.0
  Cl  Cl11  1  0.50362800  0.00725600  0.25000000  1.0
  Cl  Cl12  1  0.99274400  0.49637200  0.25000000  1.0
  Cl  Cl13  1  0.49637200  0.50362800  0.75000000  1.0
  Cl  Cl14  1  0.49637200  0.99274400  0.75000000  1.0
  Cl  Cl15  1  0.00725600  0.50362800  0.75000000  1.0
  Cl  Cl16  1  0.81985500  0.18014500  0.40339500  1.0
  Cl  Cl17  1  0.81985500  0.63970900  0.40339500  1.0
  Cl  Cl18  1  0.36029100  0.18014500  0.40339500  1.0
  Cl  Cl19  1  0.18014500  0.81985500  0.59660500  1.0
  Cl  Cl20  1  0.18014500  0.36029100  0.59660500  1.0
  Cl  Cl21  1  0.63970900  0.81985500  0.59660500  1.0
  Cl  Cl22  1  0.18014500  0.81985500  0.90339500  1.0
  Cl  Cl23  1  0.18014500  0.36029100  0.90339500  1.0
  Cl  Cl24  1  0.63970900  0.81985500  0.90339500  1.0
  Cl  Cl25  1  0.81985500  0.18014500  0.09660500  1.0
  Cl  Cl26  1  0.81985500  0.63970900  0.09660500  1.0
  Cl  Cl27  1  0.36029100  0.18014500  0.09660500  1.0