# generated using pymatgen
data_CuNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.81121033
_cell_length_b   10.81121033
_cell_length_c   10.81121033
_cell_angle_alpha   164.08539514
_cell_angle_beta   164.08539514
_cell_angle_gamma   22.58021108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi4O5
_chemical_formula_sum   'Cu1 Ni4 O5'
_cell_volume   94.99237558
_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  0.40021600  0.40021600  0.00000000  1.0
  Ni  Ni2  1  0.79986800  0.79986800  0.00000000  1.0
  Ni  Ni3  1  0.20013200  0.20013200  0.00000000  1.0
  Ni  Ni4  1  0.59978400  0.59978400  0.00000000  1.0
  O  O5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.69985000  0.69985000  0.00000000  1.0
  O  O7  1  0.10105900  0.10105900  0.00000000  1.0
  O  O8  1  0.89894100  0.89894100  0.00000000  1.0
  O  O9  1  0.30015000  0.30015000  0.00000000  1.0