# generated using pymatgen
data_Ni12C8O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39558700
_cell_length_b   8.39558700
_cell_length_c   8.39558700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni12C8O31
_chemical_formula_sum   'Ni12 C8 O31'
_cell_volume   591.77034683
_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
  Ni  Ni0  1  0.00000000  0.50000000  0.24977100  1.0
  Ni  Ni1  1  0.50000000  0.75022900  0.00000000  1.0
  Ni  Ni2  1  0.75022900  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.75022900  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.24977100  1.0
  Ni  Ni5  1  0.75022900  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.75022900  1.0
  Ni  Ni7  1  0.50000000  0.24977100  0.00000000  1.0
  Ni  Ni8  1  0.00000000  0.24977100  0.50000000  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.75022900  1.0
  Ni  Ni10  1  0.24977100  0.00000000  0.50000000  1.0
  Ni  Ni11  1  0.24977100  0.50000000  0.00000000  1.0
  C  C12  1  0.79785700  0.79785700  0.20214300  1.0
  C  C13  1  0.79785700  0.20214300  0.79785700  1.0
  C  C14  1  0.20214300  0.79785700  0.79785700  1.0
  C  C15  1  0.20214300  0.20214300  0.20214300  1.0
  C  C16  1  0.29444800  0.29444800  0.70555200  1.0
  C  C17  1  0.29444800  0.70555200  0.29444800  1.0
  C  C18  1  0.70555200  0.29444800  0.29444800  1.0
  C  C19  1  0.70555200  0.70555200  0.70555200  1.0
  O  O20  1  0.50000000  0.50000000  0.50000000  1.0
  O  O21  1  0.92445200  0.73555100  0.26444900  1.0
  O  O22  1  0.73555100  0.73555100  0.07554800  1.0
  O  O23  1  0.73555100  0.92445200  0.26444900  1.0
  O  O24  1  0.92445200  0.26444900  0.73555100  1.0
  O  O25  1  0.73555100  0.26444900  0.92445200  1.0
  O  O26  1  0.73555100  0.07554800  0.73555100  1.0
  O  O27  1  0.07554800  0.73555100  0.73555100  1.0
  O  O28  1  0.26444900  0.73555100  0.92445200  1.0
  O  O29  1  0.26444900  0.92445200  0.73555100  1.0
  O  O30  1  0.07554800  0.26444900  0.26444900  1.0
  O  O31  1  0.26444900  0.26444900  0.07554800  1.0
  O  O32  1  0.26444900  0.07554800  0.26444900  1.0
  O  O33  1  0.00000000  0.00000000  0.50000000  1.0
  O  O34  1  0.00000000  0.50000000  0.00000000  1.0
  O  O35  1  0.50000000  0.00000000  0.00000000  1.0
  O  O36  1  0.50000000  0.50000000  0.00000000  1.0
  O  O37  1  0.50000000  0.00000000  0.50000000  1.0
  O  O38  1  0.00000000  0.50000000  0.50000000  1.0
  O  O39  1  0.42050800  0.23165300  0.76834700  1.0
  O  O40  1  0.23165300  0.23165300  0.57949200  1.0
  O  O41  1  0.23165300  0.42050800  0.76834700  1.0
  O  O42  1  0.42050800  0.76834700  0.23165300  1.0
  O  O43  1  0.23165300  0.76834700  0.42050800  1.0
  O  O44  1  0.23165300  0.57949200  0.23165300  1.0
  O  O45  1  0.57949200  0.23165300  0.23165300  1.0
  O  O46  1  0.76834700  0.23165300  0.42050800  1.0
  O  O47  1  0.76834700  0.42050800  0.23165300  1.0
  O  O48  1  0.57949200  0.76834700  0.76834700  1.0
  O  O49  1  0.76834700  0.76834700  0.57949200  1.0
  O  O50  1  0.76834700  0.57949200  0.76834700  1.0