# generated using pymatgen
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61405900
_cell_length_b   6.61405900
_cell_length_c   12.45546400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr2O7
_chemical_formula_sum   'Li8 Cr8 O28'
_cell_volume   544.87394379
_cell_formula_units_Z   4
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  0.11312100  0.64737100  0.13177000  1
  Li  Li1  1  0.14737100  0.38687900  0.88177000  1
  Li  Li2  1  0.35262900  0.88687900  0.36823000  1
  Li  Li3  1  0.38687900  0.14737100  0.11823000  1
  Li  Li4  1  0.61312100  0.85262900  0.61823000  1
  Li  Li5  1  0.64737100  0.11312100  0.86823000  1
  Li  Li6  1  0.85262900  0.61312100  0.38177000  1
  Li  Li7  1  0.88687900  0.35262900  0.63177000  1
  Cr  Cr8  1  0.09366600  0.83838300  0.61929000  1
  Cr  Cr9  1  0.16161700  0.90633400  0.88071000  1
  Cr  Cr10  1  0.33838300  0.40633400  0.36929000  1
  Cr  Cr11  1  0.40633400  0.33838300  0.63071000  1
  Cr  Cr12  1  0.59366600  0.66161700  0.13071000  1
  Cr  Cr13  1  0.66161700  0.59366600  0.86929000  1
  Cr  Cr14  1  0.83838300  0.09366600  0.38071000  1
  Cr  Cr15  1  0.90633400  0.16161700  0.11929000  1
  O  O16  1  0.03983800  0.95088800  0.37613100  1
  O  O17  1  0.04876000  0.34992400  0.07633500  1
  O  O18  1  0.04911200  0.96016200  0.12386900  1
  O  O19  1  0.13244900  0.70830400  0.95825600  1
  O  O20  1  0.15007600  0.54876000  0.32633500  1
  O  O21  1  0.20830400  0.36755100  0.70825600  1
  O  O22  1  0.19297400  0.80702600  0.75000000  1
  O  O23  1  0.30702600  0.30702600  0.50000000  1
  O  O24  1  0.29169600  0.86755100  0.54174400  1
  O  O25  1  0.34992400  0.04876000  0.92366500  1
  O  O26  1  0.36755100  0.20830400  0.29174400  1
  O  O27  1  0.45088800  0.46016200  0.12613100  1
  O  O28  1  0.45124000  0.84992400  0.17366500  1
  O  O29  1  0.46016200  0.45088800  0.87386900  1
  O  O30  1  0.53983800  0.54911200  0.37386900  1
  O  O31  1  0.54876000  0.15007600  0.67366500  1
  O  O32  1  0.54911200  0.53983800  0.62613100  1
  O  O33  1  0.63244900  0.79169600  0.79174400  1
  O  O34  1  0.65007600  0.95124000  0.42366500  1
  O  O35  1  0.70830400  0.13244900  0.04174400  1
  O  O36  1  0.69297400  0.69297400  0.00000000  1
  O  O37  1  0.80702600  0.19297400  0.25000000  1
  O  O38  1  0.79169600  0.63244900  0.20825600  1
  O  O39  1  0.84992400  0.45124000  0.82633500  1
  O  O40  1  0.86755100  0.29169600  0.45825600  1
  O  O41  1  0.95088800  0.03983800  0.62386900  1
  O  O42  1  0.95124000  0.65007600  0.57633500  1
  O  O43  1  0.96016200  0.04911200  0.87613100  1
