# generated using pymatgen
data_CaNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29740383
_cell_length_b   6.29740383
_cell_length_c   10.91613800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.26332550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2O5
_chemical_formula_sum   'Ca2 Ni4 O10'
_cell_volume   258.93673615
_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  0.10510400  0.89489600  0.75000000  1.0
  Ca  Ca1  1  0.89489600  0.10510400  0.25000000  1.0
  Ni  Ni2  1  0.75793700  0.24206300  0.59698900  1.0
  Ni  Ni3  1  0.24206300  0.75793700  0.40301100  1.0
  Ni  Ni4  1  0.24206300  0.75793700  0.09698900  1.0
  Ni  Ni5  1  0.75793700  0.24206300  0.90301100  1.0
  O  O6  1  0.31991000  0.68009000  0.25000000  1.0
  O  O7  1  0.68009000  0.31991000  0.75000000  1.0
  O  O8  1  0.77419300  0.22580700  0.07712400  1.0
  O  O9  1  0.22580700  0.77419300  0.92287600  1.0
  O  O10  1  0.22580700  0.77419300  0.57712400  1.0
  O  O11  1  0.77419300  0.22580700  0.42287600  1.0
  O  O12  1  0.91100800  0.08899200  0.68821100  1.0
  O  O13  1  0.08899200  0.91100800  0.31178900  1.0
  O  O14  1  0.91100800  0.08899200  0.81178900  1.0
  O  O15  1  0.08899200  0.91100800  0.18821100  1.0