# generated using pymatgen
data_Al3V6CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55374718
_cell_length_b   6.54731853
_cell_length_c   6.55626735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.14485437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3V6CuN2
_chemical_formula_sum   'Al6 V12 Cu2 N4'
_cell_volume   281.32506043
_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
  Al  Al0  1  0.82424197  0.32089957  0.17636333  1.0
  Al  Al1  1  0.67575803  0.67910043  0.67636333  1.0
  Al  Al2  1  0.56000807  0.41729565  0.92453488  1.0
  Al  Al3  1  0.41524570  0.93489104  0.57096406  1.0
  Al  Al4  1  0.93999193  0.58270435  0.42453488  1.0
  Al  Al5  1  0.08475430  0.06510896  0.07096406  1.0
  V  V6  1  0.78859610  0.95965101  0.37577509  1.0
  V  V7  1  0.71140390  0.04034899  0.87577509  1.0
  V  V8  1  0.20609986  0.45857973  0.12766672  1.0
  V  V9  1  0.29390014  0.54142027  0.62766672  1.0
  V  V10  1  0.95872151  0.37798088  0.79024937  1.0
  V  V11  1  0.03932073  0.86972787  0.70999954  1.0
  V  V12  1  0.46067927  0.13027213  0.20999954  1.0
  V  V13  1  0.54127849  0.62201912  0.29024937  1.0
  V  V14  1  0.37834433  0.78892454  0.95814522  1.0
  V  V15  1  0.87147965  0.70840756  0.04030163  1.0
  V  V16  1  0.12165567  0.21107546  0.45814522  1.0
  V  V17  1  0.62852035  0.29159244  0.54030163  1.0
  Cu  Cu18  1  0.18264399  0.82434114  0.31878900  1.0
  Cu  Cu19  1  0.31735601  0.17565886  0.81878900  1.0
  N  N20  1  0.87828686  0.12296242  0.62746202  1.0
  N  N21  1  0.62171314  0.87703758  0.12746202  1.0
  N  N22  1  0.12668876  0.62445809  0.87974914  1.0
  N  N23  1  0.37331124  0.37554191  0.37974914  1.0