# generated using pymatgen
data_Li2Cr3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13248991
_cell_length_b   5.13248991
_cell_length_c   10.10035500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92834141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3O6
_chemical_formula_sum   'Li4 Cr6 O12'
_cell_volume   230.58795631
_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  0.15813500  0.65813500  0.75000000  1
  Li  Li1  1  0.34186500  0.84186500  0.25000000  1
  Li  Li2  1  0.65813500  0.15813500  0.75000000  1
  Li  Li3  1  0.84186500  0.34186500  0.25000000  1
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr5  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr6  1  0.33473400  0.66526600  0.00000000  1
  Cr  Cr7  1  0.83473400  0.16526600  0.50000000  1
  Cr  Cr8  1  0.16526600  0.83473400  0.50000000  1
  Cr  Cr9  1  0.66526600  0.33473400  0.00000000  1
  O  O10  1  0.16950000  0.16950000  0.59423300  1
  O  O11  1  0.33050000  0.33050000  0.09423300  1
  O  O12  1  0.66950000  0.66950000  0.90576700  1
  O  O13  1  0.99330200  0.33633100  0.89332100  1
  O  O14  1  0.83050000  0.83050000  0.40576700  1
  O  O15  1  0.16366900  0.50669800  0.39332100  1
  O  O16  1  0.49330200  0.83633100  0.60667900  1
  O  O17  1  0.66366900  0.00669800  0.10667900  1
  O  O18  1  0.00669800  0.66366900  0.10667900  1
  O  O19  1  0.33633100  0.99330200  0.89332100  1
  O  O20  1  0.50669800  0.16366900  0.39332100  1
  O  O21  1  0.83633100  0.49330200  0.60667900  1
