# generated using pymatgen
data_MgCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33517300
_cell_length_b   3.57307745
_cell_length_c   3.98184500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.82087443
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuN
_chemical_formula_sum   'Mg1 Cu1 N1'
_cell_volume   41.96616484
_cell_formula_units_Z   1
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  0.66364100  0.32728100  0.00000000  1.0
  Cu  Cu1  1  0.98777900  0.97555800  0.50000000  1.0
  N  N2  1  0.68198000  0.36396000  0.50000000  1.0