# generated using pymatgen
data_Ca4CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93736264
_cell_length_b   6.03601493
_cell_length_c   8.26770662
_cell_angle_alpha   71.75327090
_cell_angle_beta   81.40428677
_cell_angle_gamma   70.63341676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4CoN4
_chemical_formula_sum   'Ca8 Co2 N8'
_cell_volume   265.13224160
_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  0.79454264  0.56147586  0.14987907  1.0
  Ca  Ca1  1  0.20545736  0.43852414  0.85012093  1.0
  Ca  Ca2  1  0.71429132  0.19343389  0.96792354  1.0
  Ca  Ca3  1  0.28570868  0.80656611  0.03207646  1.0
  Ca  Ca4  1  0.72992293  0.49631226  0.56697648  1.0
  Ca  Ca5  1  0.27007707  0.50368774  0.43302352  1.0
  Ca  Ca6  1  0.22563359  0.95600018  0.62575984  1.0
  Ca  Ca7  1  0.77436641  0.04399982  0.37424016  1.0
  Co  Co8  1  0.73194085  0.84834310  0.75317953  1.0
  Co  Co9  1  0.26805915  0.15165690  0.24682047  1.0
  N  N10  1  0.98073500  0.70458467  0.60748990  1.0
  N  N11  1  0.01926500  0.29541533  0.39251010  1.0
  N  N12  1  0.95271475  0.82631915  0.90086260  1.0
  N  N13  1  0.04728525  0.17368085  0.09913740  1.0
  N  N14  1  0.54729696  0.64030320  0.80894332  1.0
  N  N15  1  0.45270304  0.35969680  0.19105668  1.0
  N  N16  1  0.48586259  0.83879434  0.31409291  1.0
  N  N17  1  0.51413741  0.16120566  0.68590709  1.0