# generated using pymatgen
data_CaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57957274
_cell_length_b   3.57957274
_cell_length_c   3.91352942
_cell_angle_alpha   117.21513941
_cell_angle_beta   117.21513941
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaN2
_chemical_formula_sum   'Ca1 N2'
_cell_volume   38.24529174
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.60492386  0.60492386  0.20984573  1.0
  N  N2  1  0.39507614  0.39507614  0.79015427  1.0