# generated using pymatgen
data_Li2Cr3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77092778
_cell_length_b   5.77092778
_cell_length_c   9.65733100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3CuO8
_chemical_formula_sum   'Li4 Cr6 Cu2 O16'
_cell_volume   278.53452754
_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  0.66666700  0.33333300  0.89371500  1
  Li  Li1  1  0.00000000  0.00000000  0.99664200  1
  Li  Li2  1  0.00000000  0.00000000  0.49664200  1
  Li  Li3  1  0.33333300  0.66666700  0.39371500  1
  Cr  Cr4  1  0.82827100  0.17172900  0.21482300  1
  Cr  Cr5  1  0.82827100  0.65654100  0.21482300  1
  Cr  Cr6  1  0.34345900  0.17172900  0.21482300  1
  Cr  Cr7  1  0.65654100  0.82827100  0.71482300  1
  Cr  Cr8  1  0.17172900  0.34345900  0.71482300  1
  Cr  Cr9  1  0.17172900  0.82827100  0.71482300  1
  Cu  Cu10  1  0.66666700  0.33333300  0.49537100  1
  Cu  Cu11  1  0.33333300  0.66666700  0.99537100  1
  O  O12  1  0.84276000  0.15724000  0.60968900  1
  O  O13  1  0.96435200  0.48217600  0.32982500  1
  O  O14  1  0.66666700  0.33333300  0.10021800  1
  O  O15  1  0.00000000  0.00000000  0.31013500  1
  O  O16  1  0.00000000  0.00000000  0.81013500  1
  O  O17  1  0.84276000  0.68552100  0.60968900  1
  O  O18  1  0.51782400  0.03564800  0.32982500  1
  O  O19  1  0.51782400  0.48217600  0.32982500  1
  O  O20  1  0.68552100  0.84276000  0.10968900  1
  O  O21  1  0.31447900  0.15724000  0.60968900  1
  O  O22  1  0.48217600  0.51782400  0.82982500  1
  O  O23  1  0.48217600  0.96435200  0.82982500  1
  O  O24  1  0.33333300  0.66666700  0.60021800  1
  O  O25  1  0.15724000  0.31447900  0.10968900  1
  O  O26  1  0.03564800  0.51782400  0.82982500  1
  O  O27  1  0.15724000  0.84276000  0.10968900  1
