# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17205581
_cell_length_b   6.17201254
_cell_length_c   6.17220909
_cell_angle_alpha   59.98729476
_cell_angle_beta   59.98087647
_cell_angle_gamma   59.98269739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   166.19615379
_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  0.87506700  0.87503000  0.87501800  1.0
  Ca  Ca1  1  0.12493100  0.12496900  0.12498500  1.0
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.50000100  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.49999900  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.49999900  1.0
  O  O6  1  0.73029700  0.73031500  0.73031300  1.0
  O  O7  1  0.26960600  0.26961100  0.69101800  1.0
  O  O8  1  0.26962100  0.69100300  0.26961600  1.0
  O  O9  1  0.69103400  0.26960000  0.26959200  1.0
  O  O10  1  0.73038000  0.30899700  0.73038300  1.0
  O  O11  1  0.30896600  0.73040000  0.73040800  1.0
  O  O12  1  0.26970400  0.26968600  0.26968600  1.0
  O  O13  1  0.73039400  0.73038900  0.30898200  1.0