# generated using pymatgen
data_CaCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37937795
_cell_length_b   5.37937879
_cell_length_c   5.37937938
_cell_angle_alpha   40.15128509
_cell_angle_beta   40.15127950
_cell_angle_gamma   40.15128180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCN2
_chemical_formula_sum   'Ca1 C1 N2'
_cell_volume   58.33396812
_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
  C  C1  1  0.50000000  0.50000000  0.50000000  1.0
  N  N2  1  0.41697199  0.41697199  0.41697199  1.0
  N  N3  1  0.58302801  0.58302801  0.58302801  1.0