# generated using pymatgen
data_CaNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71921100
_cell_length_b   5.40423100
_cell_length_c   10.85334300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2O5
_chemical_formula_sum   'Ca2 Ni4 O10'
_cell_volume   218.14650044
_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
  Ca  Ca0  1  0.50000000  0.13070700  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.86929300  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.52867100  0.84848200  1.0
  Ni  Ni3  1  0.50000000  0.47132900  0.65151800  1.0
  Ni  Ni4  1  0.50000000  0.47132900  0.34848200  1.0
  Ni  Ni5  1  0.00000000  0.52867100  0.15151800  1.0
  O  O6  1  0.50000000  0.62462000  0.50000000  1.0
  O  O7  1  0.00000000  0.37538000  0.00000000  1.0
  O  O8  1  0.50000000  0.43089200  0.82290900  1.0
  O  O9  1  0.00000000  0.56910800  0.67709100  1.0
  O  O10  1  0.50000000  0.43089200  0.17709100  1.0
  O  O11  1  0.00000000  0.56910800  0.32290900  1.0
  O  O12  1  0.00000000  0.86066000  0.06589300  1.0
  O  O13  1  0.50000000  0.13934000  0.43410700  1.0
  O  O14  1  0.50000000  0.13934000  0.56589300  1.0
  O  O15  1  0.00000000  0.86066000  0.93410700  1.0