# generated using pymatgen
data_Cu6NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81161588
_cell_length_b   5.81161588
_cell_length_c   5.81161588
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu6NiO6
_chemical_formula_sum   'Cu6 Ni1 O6'
_cell_volume   138.79560300
_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
  Cu  Cu0  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1.0
  O  O7  1  0.23124600  0.76875400  0.23124600  1.0
  O  O8  1  0.76875400  0.23124600  0.76875400  1.0
  O  O9  1  0.23124600  0.23124600  0.76875400  1.0
  O  O10  1  0.76875400  0.76875400  0.23124600  1.0
  O  O11  1  0.76875400  0.23124600  0.23124600  1.0
  O  O12  1  0.23124600  0.76875400  0.76875400  1.0