# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20812000
_cell_length_b   9.11939472
_cell_length_c   11.41725315
_cell_angle_alpha   112.96744782
_cell_angle_beta   102.53233968
_cell_angle_gamma   89.75892637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.42157651
_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  0.02655800  0.02845200  0.38715500  1
  Li  Li1  1  0.29671100  0.27465900  0.91745500  1
  Li  Li2  1  0.97868000  0.00121500  0.65920000  1
  Li  Li3  1  0.74231900  0.74146500  0.13695500  1
  Fe  Fe4  1  0.01587500  0.35779000  0.37353600  1
  Fe  Fe5  1  0.25729600  0.92904100  0.88402800  1
  Fe  Fe6  1  0.46704900  0.16062600  0.62376200  1
  Fe  Fe7  1  0.24099600  0.56441700  0.14476700  1
  Fe  Fe8  1  0.77265700  0.44212700  0.86916500  1
  Fe  Fe9  1  0.52959900  0.84563600  0.38789600  1
  Fe  Fe10  1  0.98249500  0.64622400  0.63278800  1
  Fe  Fe11  1  0.74718900  0.06891900  0.12390300  1
  B  B12  1  0.02959900  0.68726000  0.38140900  1
  B  B13  1  0.27451400  0.59474000  0.87819500  1
  B  B14  1  0.48646600  0.81940100  0.63431500  1
  B  B15  1  0.23740000  0.88876100  0.13267500  1
  B  B16  1  0.51316900  0.18535500  0.37415900  1
  B  B17  1  0.76642600  0.11568900  0.87691100  1
  B  B18  1  0.96291900  0.30953500  0.61823600  1
  B  B19  1  0.73471400  0.40592800  0.12942500  1
  O  O20  1  0.02007400  0.10083800  0.85729800  1
  O  O21  1  0.12643400  0.68722200  0.82313000  1
  O  O22  1  0.15192700  0.49321200  0.92143000  1
  O  O23  1  0.07914100  0.16943400  0.60290700  1
  O  O24  1  0.04847200  0.41733400  0.57292300  1
  O  O25  1  0.23202100  0.83043300  0.66090600  1
  O  O26  1  0.25655800  0.65337800  0.33297400  1
  O  O27  1  0.54192000  0.60133500  0.89693500  1
  O  O28  1  0.61778300  0.23493500  0.84810700  1
  O  O29  1  0.42643000  0.07271600  0.41542100  1
  O  O30  1  0.36072600  0.30350600  0.36590300  1
  O  O31  1  0.64668300  0.02379400  0.92299700  1
  O  O32  1  0.35804100  0.97774400  0.08402100  1
  O  O33  1  0.63709900  0.70029800  0.64236500  1
  O  O34  1  0.58091900  0.93432400  0.59695100  1
  O  O35  1  0.38618800  0.77159500  0.16530400  1
  O  O36  1  0.46575400  0.39904400  0.10929100  1
  O  O37  1  0.75290500  0.34480600  0.67898200  1
  O  O38  1  0.76432600  0.17474000  0.34417700  1
  O  O39  1  0.94252900  0.58554800  0.43206900  1
  O  O40  1  0.89980000  0.81555200  0.37477000  1
  O  O41  1  0.85987700  0.51189300  0.09170900  1
  O  O42  1  0.88156700  0.31062900  0.18093400  1
  O  O43  1  0.98586100  0.90412100  0.15104800  1
