# generated using pymatgen
data_CuNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09746807
_cell_length_b   3.09746807
_cell_length_c   5.69675264
_cell_angle_alpha   64.90585028
_cell_angle_beta   64.90585028
_cell_angle_gamma   55.08820524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiO2
_chemical_formula_sum   'Cu1 Ni1 O2'
_cell_volume   39.36032087
_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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.50000000  1.0
  O  O2  1  0.57092400  0.57092400  0.73129900  1.0
  O  O3  1  0.42907600  0.42907600  0.26870100  1.0