# generated using pymatgen
data_Li2Cr2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64587477
_cell_length_b   6.64389836
_cell_length_c   8.41305602
_cell_angle_alpha   70.94348005
_cell_angle_beta   109.10069327
_cell_angle_gamma   96.47082648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr2FeO6
_chemical_formula_sum   'Li6 Cr6 Fe3 O18'
_cell_volume   331.77862354
_cell_formula_units_Z   3
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  0.33241500  0.32748500  0.50264000  1
  Li  Li1  1  0.33425200  0.00584800  0.83069300  1
  Li  Li2  1  0.66868100  0.66656300  0.50112600  1
  Li  Li3  1  0.99798600  0.66677000  0.83220800  1
  Li  Li4  1  0.66316900  0.99857400  0.16514500  1
  Li  Li5  1  0.00349800  0.33476000  0.16818800  1
  Cr  Cr6  1  0.66561400  0.66098400  0.99810600  1
  Cr  Cr7  1  0.66735300  0.33374600  0.33215900  1
  Cr  Cr8  1  0.66919900  0.00056500  0.66559800  1
  Cr  Cr9  1  0.99931400  0.99958800  0.00117400  1
  Cr  Cr10  1  0.00105300  0.67234900  0.33522700  1
  Cr  Cr11  1  0.99746800  0.33276800  0.66773600  1
  Fe  Fe12  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe13  1  0.33427900  0.33407400  0.99889600  1
  Fe  Fe14  1  0.33238700  0.99925900  0.33443800  1
  O  O15  1  0.01925000  0.99144900  0.24259100  1
  O  O16  1  0.00982100  0.64615400  0.58277600  1
  O  O17  1  0.02686900  0.32130700  0.91818000  1
  O  O18  1  0.35468300  0.99699700  0.57542300  1
  O  O19  1  0.34368100  0.64077300  0.91377400  1
  O  O20  1  0.67888000  0.97592800  0.91427800  1
  O  O21  1  0.32298600  0.69256000  0.41955900  1
  O  O22  1  0.31198300  0.33633600  0.75791100  1
  O  O23  1  0.65684600  0.68717900  0.75055700  1
  O  O24  1  0.34450700  0.30551900  0.24769000  1
  O  O25  1  0.68799200  0.65232000  0.24619400  1
  O  O26  1  0.68025600  0.31948800  0.57256200  1
  O  O27  1  0.32216000  0.02781400  0.08564300  1
  O  O28  1  0.64741600  0.34188500  0.09074200  1
  O  O29  1  0.63979800  0.01202600  0.41515400  1
  O  O30  1  0.97867500  0.68101400  0.08713900  1
  O  O31  1  0.98778600  0.35740600  0.41905600  1
  O  O32  1  0.98641000  0.01384500  0.76077100  1
