# generated using pymatgen
data_CaCoCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44301183
_cell_length_b   3.44301183
_cell_length_c   7.31552801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoCN
_chemical_formula_sum   'Ca2 Co2 C2 N2'
_cell_volume   86.72068673
_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
  Ca  Ca0  1  0.00000000  0.50000000  0.33813112  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.66186888  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1.0
  C  C4  1  0.00000000  0.50000000  0.85719084  1.0
  C  C5  1  0.50000000  0.00000000  0.14280916  1.0
  N  N6  1  0.00000000  0.50000000  0.67082195  1.0
  N  N7  1  0.50000000  0.00000000  0.32917805  1.0