# generated using pymatgen
data_Li6Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75063224
_cell_length_b   5.75063224
_cell_length_c   9.63468705
_cell_angle_alpha   80.61803617
_cell_angle_beta   80.61803617
_cell_angle_gamma   59.45328407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Cr2O7
_chemical_formula_sum   'Li12 Cr4 O14'
_cell_volume   269.51963699
_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  0.52855800  0.33012300  0.11487800  1
  Li  Li1  1  0.07800500  0.78863100  0.10002500  1
  Li  Li2  1  0.33012300  0.52855800  0.61487800  1
  Li  Li3  1  0.78863100  0.07800500  0.60002500  1
  Li  Li4  1  0.66876800  0.92199600  0.38438700  1
  Li  Li5  1  0.92199600  0.66876800  0.88438700  1
  Li  Li6  1  0.07800400  0.33123200  0.11561300  1
  Li  Li7  1  0.33123200  0.07800400  0.61561300  1
  Li  Li8  1  0.21136900  0.92199500  0.39997500  1
  Li  Li9  1  0.66987700  0.47144200  0.38512200  1
  Li  Li10  1  0.92199500  0.21136900  0.89997500  1
  Li  Li11  1  0.47144200  0.66987700  0.88512200  1
  Cr  Cr12  1  0.19226100  0.43918600  0.36927600  1
  Cr  Cr13  1  0.43918600  0.19226100  0.86927600  1
  Cr  Cr14  1  0.56081400  0.80773900  0.13072400  1
  Cr  Cr15  1  0.80773900  0.56081400  0.63072400  1
  O  O16  1  0.48943300  0.26393200  0.47143900  1
  O  O17  1  0.26393200  0.48943300  0.97143900  1
  O  O18  1  0.72841200  0.99811100  0.00224200  1
  O  O19  1  0.87274400  0.63500100  0.25090100  1
  O  O20  1  0.36499900  0.12725600  0.24909900  1
  O  O21  1  0.99811100  0.72841200  0.50224200  1
  O  O22  1  0.00188900  0.27158800  0.49775800  1
  O  O23  1  0.63500100  0.87274400  0.75090100  1
  O  O24  1  0.12725600  0.36499900  0.74909900  1
  O  O25  1  0.27158800  0.00188900  0.99775800  1
  O  O26  1  0.73606800  0.51056700  0.02856100  1
  O  O27  1  0.34808600  0.65191400  0.25000000  1
  O  O28  1  0.51056700  0.73606800  0.52856100  1
  O  O29  1  0.65191400  0.34808600  0.75000000  1
