# generated using pymatgen
data_Cu(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84082081
_cell_length_b   5.84082081
_cell_length_c   5.84082081
_cell_angle_alpha   60.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(NiO2)2
_chemical_formula_sum   'Cu2 Ni4 O8'
_cell_volume   140.89859085
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.25000000  0.50000000  0.25000000  1.0
  Ni  Ni2  1  0.62500000  0.25000000  0.12500000  1.0
  Ni  Ni3  1  0.62500000  0.25000000  0.62500000  1.0
  Ni  Ni4  1  0.62500000  0.75000000  0.62500000  1.0
  Ni  Ni5  1  0.12500000  0.75000000  0.62500000  1.0
  O  O6  1  0.84674200  0.23116100  0.38442000  1.0
  O  O7  1  0.38442000  0.23116100  0.38442000  1.0
  O  O8  1  0.86558000  0.26883900  0.86558000  1.0
  O  O9  1  0.86558000  0.73116100  0.40325800  1.0
  O  O10  1  0.40325800  0.26883900  0.86558000  1.0
  O  O11  1  0.86558000  0.73116100  0.86558000  1.0
  O  O12  1  0.38442000  0.76883900  0.38442000  1.0
  O  O13  1  0.38442000  0.76883900  0.84674200  1.0