# generated using pymatgen
data_Cu3(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30410549
_cell_length_b   6.30410549
_cell_length_c   6.30410549
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3(NiO3)4
_chemical_formula_sum   'Cu3 Ni4 O12'
_cell_volume   192.86282511
_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  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1.0
  O  O7  1  0.31926400  0.14514900  0.82588500  1.0
  O  O8  1  0.68073600  0.85485100  0.17411500  1.0
  O  O9  1  0.68073600  0.50662100  0.82588500  1.0
  O  O10  1  0.49337900  0.17411500  0.31926400  1.0
  O  O11  1  0.17411500  0.31926400  0.49337900  1.0
  O  O12  1  0.82588500  0.31926400  0.14514900  1.0
  O  O13  1  0.85485100  0.17411500  0.68073600  1.0
  O  O14  1  0.82588500  0.68073600  0.50662100  1.0
  O  O15  1  0.31926400  0.49337900  0.17411500  1.0
  O  O16  1  0.50662100  0.82588500  0.68073600  1.0
  O  O17  1  0.17411500  0.68073600  0.85485100  1.0
  O  O18  1  0.14514900  0.82588500  0.31926400  1.0