# generated using pymatgen
data_VCuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25845597
_cell_length_b   4.57205130
_cell_length_c   9.20423800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   45.44711313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuN2
_chemical_formula_sum   'V2 Cu2 N4'
_cell_volume   97.71439372
_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
  V  V0  1  0.00000000  0.33080000  0.25000000  1.0
  V  V1  1  0.00000000  0.66920000  0.75000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.00000000  0.41681000  0.05673300  1.0
  N  N5  1  0.00000000  0.58319000  0.94326700  1.0
  N  N6  1  0.00000000  0.41681000  0.44326700  1.0
  N  N7  1  0.00000000  0.58319000  0.55673300  1.0