# generated using pymatgen
data_Li2(NiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98190719
_cell_length_b   4.98190719
_cell_length_c   10.00563700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.54401509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2(NiO2)3
_chemical_formula_sum   'Li4 Ni6 O12'
_cell_volume   216.04481898
_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
  Li  Li0  1  0.65971000  0.15971000  0.75000000  1
  Li  Li1  1  0.84029000  0.34029000  0.25000000  1
  Li  Li2  1  0.15971000  0.65971000  0.75000000  1
  Li  Li3  1  0.34029000  0.84029000  0.25000000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.66502700  0.33497300  0.00000000  1
  Ni  Ni7  1  0.16502700  0.83497300  0.50000000  1
  Ni  Ni8  1  0.83497300  0.16502700  0.50000000  1
  Ni  Ni9  1  0.33497300  0.66502700  0.00000000  1
  O  O10  1  0.17130400  0.17130400  0.59561500  1
  O  O11  1  0.32869600  0.32869600  0.09561500  1
  O  O12  1  0.67130400  0.67130400  0.90438500  1
  O  O13  1  0.34055000  0.99068900  0.89997300  1
  O  O14  1  0.82869600  0.82869600  0.40438500  1
  O  O15  1  0.50931100  0.15945000  0.39997300  1
  O  O16  1  0.84055000  0.49068900  0.60002700  1
  O  O17  1  0.00931100  0.65945000  0.10002700  1
  O  O18  1  0.65945000  0.00931100  0.10002700  1
  O  O19  1  0.99068900  0.34055000  0.89997300  1
  O  O20  1  0.15945000  0.50931100  0.39997300  1
  O  O21  1  0.49068900  0.84055000  0.60002700  1
