# generated using pymatgen
data_MgCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43017500
_cell_length_b   4.43017500
_cell_length_c   4.43017500
_cell_angle_alpha   119.08709167
_cell_angle_beta   119.08709167
_cell_angle_gamma   91.58861289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCN2
_chemical_formula_sum   'Mg2 C2 N4'
_cell_volume   62.30440090
_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
  Mg  Mg0  1  0.75000000  0.25000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.00000000  1.0
  C  C2  1  0.50000000  0.50000000  0.00000000  1.0
  C  C3  1  0.25000000  0.75000000  0.50000000  1.0
  N  N4  1  0.52214000  0.62500000  0.39714000  1.0
  N  N5  1  0.87500000  0.47786000  0.10286000  1.0
  N  N6  1  0.22786000  0.12500000  0.60286000  1.0
  N  N7  1  0.37500000  0.77214000  0.89714000  1.0