# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11938712
_cell_length_b   6.11938712
_cell_length_c   6.06743271
_cell_angle_alpha   60.41140004
_cell_angle_beta   60.41140004
_cell_angle_gamma   59.57986605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   161.12536698
_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  0.87596300  0.87596300  0.87568500  1.0
  Ca  Ca1  1  0.12403700  0.12403700  0.12431500  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.27137900  0.68642800  0.26053400  1.0
  O  O7  1  0.28102200  0.28102200  0.69197200  1.0
  O  O8  1  0.25617500  0.25617500  0.29334800  1.0
  O  O9  1  0.31357200  0.72862100  0.73946600  1.0
  O  O10  1  0.74382500  0.74382500  0.70665200  1.0
  O  O11  1  0.71897800  0.71897800  0.30802800  1.0
  O  O12  1  0.68642800  0.27137900  0.26053400  1.0
  O  O13  1  0.72862100  0.31357200  0.73946600  1.0