# generated using pymatgen
data_NaCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76991000
_cell_length_b   3.55194900
_cell_length_c   5.87457100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuN
_chemical_formula_sum   'Na4 Cu4 N4'
_cell_volume   182.99449073
_cell_formula_units_Z   4
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  0.66244800  0.25000000  0.06703400  1.0
  Na  Na1  1  0.16244800  0.25000000  0.43296600  1.0
  Na  Na2  1  0.33755200  0.75000000  0.93296600  1.0
  Na  Na3  1  0.83755200  0.75000000  0.56703400  1.0
  Cu  Cu4  1  0.54771700  0.25000000  0.61669900  1.0
  Cu  Cu5  1  0.04771700  0.25000000  0.88330100  1.0
  Cu  Cu6  1  0.45228300  0.75000000  0.38330100  1.0
  Cu  Cu7  1  0.95228300  0.75000000  0.11669900  1.0
  N  N8  1  0.92810700  0.25000000  0.19935400  1.0
  N  N9  1  0.42810700  0.25000000  0.30064600  1.0
  N  N10  1  0.07189300  0.75000000  0.80064600  1.0
  N  N11  1  0.57189300  0.75000000  0.69935400  1.0