# generated using pymatgen
data_MgCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73544300
_cell_length_b   3.28108700
_cell_length_c   5.51758900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuN
_chemical_formula_sum   'Mg4 Cu4 N4'
_cell_volume   140.04005852
_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
  Mg  Mg0  1  0.64883100  0.25000000  0.41614100  1.0
  Mg  Mg1  1  0.14883100  0.25000000  0.08385900  1.0
  Mg  Mg2  1  0.35116900  0.75000000  0.58385900  1.0
  Mg  Mg3  1  0.85116900  0.75000000  0.91614100  1.0
  Cu  Cu4  1  0.56719200  0.25000000  0.87114700  1.0
  Cu  Cu5  1  0.06719200  0.25000000  0.62885300  1.0
  Cu  Cu6  1  0.43280800  0.75000000  0.12885300  1.0
  Cu  Cu7  1  0.93280800  0.75000000  0.37114700  1.0
  N  N8  1  0.86908900  0.25000000  0.17992000  1.0
  N  N9  1  0.36908900  0.25000000  0.32008000  1.0
  N  N10  1  0.13091100  0.75000000  0.82008000  1.0
  N  N11  1  0.63091100  0.75000000  0.67992000  1.0