# generated using pymatgen
data_Ca(Ni2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12896594
_cell_length_b   5.12896594
_cell_length_c   15.09059900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.71691022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Ni2O3)2
_chemical_formula_sum   'Ca2 Ni8 O12'
_cell_volume   223.61047545
_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  0.34420100  0.65579900  0.75000000  1.0
  Ca  Ca1  1  0.65579900  0.34420100  0.25000000  1.0
  Ni  Ni2  1  0.13676400  0.86323600  0.04181400  1.0
  Ni  Ni3  1  0.59071900  0.40928100  0.63078800  1.0
  Ni  Ni4  1  0.86323600  0.13676400  0.95818600  1.0
  Ni  Ni5  1  0.40928100  0.59071900  0.36921200  1.0
  Ni  Ni6  1  0.13676400  0.86323600  0.45818600  1.0
  Ni  Ni7  1  0.86323600  0.13676400  0.54181400  1.0
  Ni  Ni8  1  0.40928100  0.59071900  0.13078800  1.0
  Ni  Ni9  1  0.59071900  0.40928100  0.86921200  1.0
  O  O10  1  0.50000000  0.50000000  0.50000000  1.0
  O  O11  1  0.50000000  0.50000000  0.00000000  1.0
  O  O12  1  0.95718700  0.04281300  0.84740100  1.0
  O  O13  1  0.04281300  0.95718700  0.15259900  1.0
  O  O14  1  0.04281300  0.95718700  0.34740100  1.0
  O  O15  1  0.95718700  0.04281300  0.65259900  1.0
  O  O16  1  0.22387500  0.77612500  0.92314100  1.0
  O  O17  1  0.77612500  0.22387500  0.07685900  1.0
  O  O18  1  0.77612500  0.22387500  0.42314100  1.0
  O  O19  1  0.22387500  0.77612500  0.57685900  1.0
  O  O20  1  0.66955500  0.33044500  0.75000000  1.0
  O  O21  1  0.33044500  0.66955500  0.25000000  1.0