# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01146914
_cell_length_b   8.41857231
_cell_length_c   7.24552811
_cell_angle_alpha   68.37347631
_cell_angle_beta   78.25093707
_cell_angle_gamma   79.76139571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   166.11444977
_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  0.35205200  0.14545700  0.14632000  1.0
  Ca  Ca1  1  0.64677400  0.83335100  0.89100700  1.0
  Ni  Ni2  1  0.59019000  0.21061100  0.62131200  1.0
  Ni  Ni3  1  0.16118500  0.49081600  0.19552400  1.0
  Ni  Ni4  1  0.84522000  0.48716400  0.83257700  1.0
  Ni  Ni5  1  0.41783800  0.76602800  0.40484600  1.0
  O  O6  1  0.88104700  0.66956800  0.57865200  1.0
  O  O7  1  0.43143800  0.34292400  0.80493600  1.0
  O  O8  1  0.57603000  0.63035000  0.22734800  1.0
  O  O9  1  0.12589700  0.30927900  0.44827100  1.0
  O  O10  1  0.10436300  0.05043300  0.75723400  1.0
  O  O11  1  0.76130800  0.35857200  0.12253800  1.0
  O  O12  1  0.90865000  0.92427400  0.25685100  1.0
  O  O13  1  0.24141200  0.62131000  0.90702300  1.0