# generated using pymatgen
data_Ca8Co2CuN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16848731
_cell_length_b   4.96520649
_cell_length_c   7.10071798
_cell_angle_alpha   90.00001398
_cell_angle_beta   74.94125742
_cell_angle_gamma   74.28955703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Co2CuN8
_chemical_formula_sum   'Ca8 Co2 Cu1 N8'
_cell_volume   299.62581608
_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  0.06332180  0.96833910  0.74351906  1.0
  Ca  Ca1  1  0.93667820  0.03166090  0.25648094  1.0
  Ca  Ca2  1  0.66441167  0.66779366  0.47785200  1.0
  Ca  Ca3  1  0.33558833  0.33220634  0.52214800  1.0
  Ca  Ca4  1  0.81804591  0.59097755  0.96963534  1.0
  Ca  Ca5  1  0.18195409  0.40902245  0.03036466  1.0
  Ca  Ca6  1  0.39877243  0.80061429  0.18200506  1.0
  Ca  Ca7  1  0.60122757  0.19938571  0.81799494  1.0
  Co  Co8  1  0.37693803  0.81153098  0.78923510  1.0
  Co  Co9  1  0.62306197  0.18846902  0.21076490  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.50000000  1.0
  N  N11  1  0.20696691  0.89651555  0.99797362  1.0
  N  N12  1  0.79303309  0.10348445  0.00202638  1.0
  N  N13  1  0.35558814  0.82220593  0.54836822  1.0
  N  N14  1  0.64441186  0.17779407  0.45163178  1.0
  N  N15  1  0.56660108  0.71669946  0.83529343  1.0
  N  N16  1  0.43339892  0.28330054  0.16470657  1.0
  N  N17  1  0.93765945  0.53116927  0.27123171  1.0
  N  N18  1  0.06234055  0.46883073  0.72876829  1.0