# generated using pymatgen
data_CaNi4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84989900
_cell_length_b   8.22816400
_cell_length_c   11.54029700
_cell_angle_alpha   47.04777042
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi4O9
_chemical_formula_sum   'Ca2 Ni8 O18'
_cell_volume   406.56794298
_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  0.19189300  0.50000000  0.25000000  1.0
  Ca  Ca1  1  0.80810700  0.50000000  0.75000000  1.0
  Ni  Ni2  1  0.56341800  0.13106100  0.33923400  1.0
  Ni  Ni3  1  0.45812800  0.69956600  0.46664100  1.0
  Ni  Ni4  1  0.54187200  0.69956600  0.96664100  1.0
  Ni  Ni5  1  0.43658200  0.13106100  0.83923400  1.0
  Ni  Ni6  1  0.56341800  0.86893900  0.16076600  1.0
  Ni  Ni7  1  0.54187200  0.30043400  0.53335900  1.0
  Ni  Ni8  1  0.43658200  0.86893900  0.66076600  1.0
  Ni  Ni9  1  0.45812800  0.30043400  0.03335900  1.0
  O  O10  1  0.48931500  0.00000000  0.25000000  1.0
  O  O11  1  0.51068500  0.00000000  0.75000000  1.0
  O  O12  1  0.14785500  0.32924500  0.92591100  1.0
  O  O13  1  0.14775200  0.74160000  0.64975500  1.0
  O  O14  1  0.14775200  0.25840000  0.85024500  1.0
  O  O15  1  0.14785500  0.67075500  0.57408900  1.0
  O  O16  1  0.85214500  0.67075500  0.07408900  1.0
  O  O17  1  0.85224800  0.25840000  0.35024500  1.0
  O  O18  1  0.85224800  0.74160000  0.14975500  1.0
  O  O19  1  0.85214500  0.32924500  0.42591100  1.0
  O  O20  1  0.43451500  0.59996500  0.35638200  1.0
  O  O21  1  0.38512800  0.82469600  0.03683000  1.0
  O  O22  1  0.38512800  0.17530400  0.46317000  1.0
  O  O23  1  0.43451500  0.40003500  0.14361800  1.0
  O  O24  1  0.56548500  0.59996500  0.85638200  1.0
  O  O25  1  0.61487200  0.17530400  0.96317000  1.0
  O  O26  1  0.61487200  0.82469600  0.53683000  1.0
  O  O27  1  0.56548500  0.40003500  0.64361800  1.0