# generated using pymatgen
data_Li6Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80589500
_cell_length_b   5.06244900
_cell_length_c   9.80056190
_cell_angle_alpha   69.39495889
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Cr2O7
_chemical_formula_sum   'Li12 Cr4 O14'
_cell_volume   269.63106180
_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  0.78296000  0.22944000  0.13726500  1
  Li  Li1  1  0.23106000  0.23641900  0.13213400  1
  Li  Li2  1  0.50470900  0.80835400  0.13074500  1
  Li  Li3  1  0.73106000  0.76358100  0.36786600  1
  Li  Li4  1  0.28296000  0.77056000  0.36273500  1
  Li  Li5  1  0.00470900  0.19164600  0.36925500  1
  Li  Li6  1  0.99529100  0.80835400  0.63074500  1
  Li  Li7  1  0.71704000  0.22944000  0.63726500  1
  Li  Li8  1  0.26894000  0.23641900  0.63213400  1
  Li  Li9  1  0.49529100  0.19164600  0.86925500  1
  Li  Li10  1  0.76894000  0.76358100  0.86786600  1
  Li  Li11  1  0.21704000  0.77056000  0.86273500  1
  Cr  Cr12  1  0.00728900  0.74009400  0.13278500  1
  Cr  Cr13  1  0.50728900  0.25990600  0.36721500  1
  Cr  Cr14  1  0.49271100  0.74009400  0.63278500  1
  Cr  Cr15  1  0.99271100  0.25990600  0.86721500  1
  O  O16  1  0.00000000  0.50000000  0.00000000  1
  O  O17  1  0.77539700  0.98425400  0.00606700  1
  O  O18  1  0.00732200  0.94546700  0.25389000  1
  O  O19  1  0.50732200  0.05453300  0.24611000  1
  O  O20  1  0.26469500  0.51546400  0.23713600  1
  O  O21  1  0.76469500  0.48453600  0.26286400  1
  O  O22  1  0.27539700  0.01574600  0.49393300  1
  O  O23  1  0.72460300  0.98425400  0.50606700  1
  O  O24  1  0.50000000  0.50000000  0.50000000  1
  O  O25  1  0.23530500  0.51546400  0.73713600  1
  O  O26  1  0.73530500  0.48453600  0.76286400  1
  O  O27  1  0.49267800  0.94546700  0.75389000  1
  O  O28  1  0.99267800  0.05453300  0.74611000  1
  O  O29  1  0.22460300  0.01574600  0.99393300  1
