# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13541167
_cell_length_b   5.13541167
_cell_length_c   9.61980000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.21530626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   144.73307509
_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  0.60608900  0.39391100  0.75000000  1.0
  Ca  Ca1  1  0.39391100  0.60608900  0.25000000  1.0
  Ni  Ni2  1  0.13825400  0.86174600  0.06817200  1.0
  Ni  Ni3  1  0.86174600  0.13825400  0.93182800  1.0
  Ni  Ni4  1  0.13825400  0.86174600  0.43182800  1.0
  Ni  Ni5  1  0.86174600  0.13825400  0.56817200  1.0
  O  O6  1  0.76885800  0.23114200  0.39380500  1.0
  O  O7  1  0.23114200  0.76885800  0.60619500  1.0
  O  O8  1  0.23114200  0.76885800  0.89380500  1.0
  O  O9  1  0.76885800  0.23114200  0.10619500  1.0
  O  O10  1  0.06205500  0.93794500  0.25000000  1.0
  O  O11  1  0.93794500  0.06205500  0.75000000  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0
  O  O13  1  0.50000000  0.50000000  0.50000000  1.0