# generated using pymatgen
data_Li21(FeO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54655310
_cell_length_b   6.54655310
_cell_length_c   9.49582353
_cell_angle_alpha   89.90452226
_cell_angle_beta   89.90452226
_cell_angle_gamma   92.41396937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li21(FeO4)4
_chemical_formula_sum   'Li21 Fe4 O16'
_cell_volume   406.60358004
_cell_formula_units_Z   1
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  0.46428800  0.95004200  0.76280100  1
  Li  Li1  1  0.45554700  0.95587600  0.25457000  1
  Li  Li2  1  0.28107700  0.27270400  0.72237600  1
  Li  Li3  1  0.22364800  0.21959900  0.47262100  1
  Li  Li4  1  0.27805800  0.27564300  0.22101700  1
  Li  Li5  1  0.25000700  0.24368500  0.97144800  1
  Li  Li6  1  0.04412400  0.54445300  0.74543000  1
  Li  Li7  1  0.04995800  0.53571200  0.23719900  1
  Li  Li8  1  0.01869600  0.97369600  0.73889800  1
  Li  Li9  1  0.02630400  0.98130400  0.26110200  1
  Li  Li10  1  0.96501800  0.45642900  0.49005500  1
  Li  Li11  1  0.97091800  0.02908200  0.00000000  1
  Li  Li12  1  0.96935500  0.46485400  0.99190600  1
  Li  Li13  1  0.78040100  0.77635200  0.52737900  1
  Li  Li14  1  0.72435700  0.72194200  0.77898300  1
  Li  Li15  1  0.75631500  0.74999300  0.02855200  1
  Li  Li16  1  0.72729600  0.71892300  0.27762400  1
  Li  Li17  1  0.54357100  0.03498200  0.50994500  1
  Li  Li18  1  0.53514600  0.03064500  0.00809400  1
  Li  Li19  1  0.52293400  0.47706600  0.50000000  1
  Li  Li20  1  0.51576200  0.48423800  0.00000000  1
  Fe  Fe21  1  0.24622900  0.75377100  0.50000000  1
  Fe  Fe22  1  0.24673700  0.75326300  0.00000000  1
  Fe  Fe23  1  0.74403500  0.25549400  0.74849100  1
  Fe  Fe24  1  0.74450600  0.25596500  0.25150900  1
  O  O25  1  0.50190600  0.23935100  0.86221200  1
  O  O26  1  0.49996800  0.23420600  0.36381200  1
  O  O27  1  0.23482300  0.47862000  0.08931100  1
  O  O28  1  0.26278900  0.99730400  0.61422000  1
  O  O29  1  0.24532200  0.01981000  0.11512400  1
  O  O30  1  0.23539200  0.48847800  0.58835200  1
  O  O31  1  0.00713200  0.26460100  0.33982400  1
  O  O32  1  0.00622400  0.25089900  0.84703000  1
  O  O33  1  0.00269600  0.73721100  0.38578000  1
  O  O34  1  0.98019000  0.75467800  0.88487600  1
  O  O35  1  0.74910100  0.99377600  0.15297000  1
  O  O36  1  0.73539900  0.99286800  0.66017600  1
  O  O37  1  0.76579400  0.50003200  0.63618800  1
  O  O38  1  0.76064900  0.49809400  0.13778800  1
  O  O39  1  0.51152200  0.76460800  0.41164800  1
  O  O40  1  0.52138000  0.76517700  0.91068900  1
