# generated using pymatgen
data_Li2Cr2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83947575
_cell_length_b   7.83947583
_cell_length_c   5.93029647
_cell_angle_alpha   101.79403264
_cell_angle_beta   101.79403162
_cell_angle_gamma   67.90198671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr2NiO6
_chemical_formula_sum   'Li6 Cr6 Ni3 O18'
_cell_volume   327.27616360
_cell_formula_units_Z   3
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  0.32218400  0.66714800  0.49867300  1
  Li  Li1  1  0.66714800  0.32218400  0.49867300  1
  Li  Li2  1  0.99839700  0.66826900  0.16666700  1
  Li  Li3  1  0.66826900  0.99839700  0.16666700  1
  Li  Li4  1  0.99951900  0.34448200  0.83466100  1
  Li  Li5  1  0.34448200  0.99951900  0.83466100  1
  Cr  Cr6  1  0.00477300  0.00477300  0.99051000  1
  Cr  Cr7  1  0.66189300  0.66189300  0.34282400  1
  Cr  Cr8  1  0.33103600  0.66777000  0.99269600  1
  Cr  Cr9  1  0.66777000  0.33103600  0.99269600  1
  Cr  Cr10  1  0.99889700  0.33563100  0.34063700  1
  Cr  Cr11  1  0.33563100  0.99889700  0.34063700  1
  Ni  Ni12  1  0.99502200  0.67164500  0.66666700  1
  Ni  Ni13  1  0.33333300  0.33333300  0.66666700  1
  Ni  Ni14  1  0.67164500  0.99502200  0.66666700  1
  O  O15  1  0.81987300  0.81987300  0.44154700  1
  O  O16  1  0.48892000  0.82834900  0.10758500  1
  O  O17  1  0.82834900  0.48892000  0.10758500  1
  O  O18  1  0.84679400  0.84679400  0.89178600  1
  O  O19  1  0.48776800  0.83670100  0.55730500  1
  O  O20  1  0.83670100  0.48776800  0.55730500  1
  O  O21  1  0.17774600  0.83831800  0.22574800  1
  O  O22  1  0.50455900  0.50455900  0.21713600  1
  O  O23  1  0.83831800  0.17774600  0.22574800  1
  O  O24  1  0.17889900  0.82996500  0.77602800  1
  O  O25  1  0.48225000  0.48225000  0.75254200  1
  O  O26  1  0.82996500  0.17889900  0.77602800  1
  O  O27  1  0.14283500  0.50531100  0.44134600  1
  O  O28  1  0.50531100  0.14283500  0.44134600  1
  O  O29  1  0.16210800  0.16210800  0.11619700  1
  O  O30  1  0.16135500  0.52383200  0.89198700  1
  O  O31  1  0.52383200  0.16135500  0.89198700  1
  O  O32  1  0.18441600  0.18441600  0.58079100  1
