# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76851600
_cell_length_b   8.86679800
_cell_length_c   14.28088400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBO4
_chemical_formula_sum   'Li16 Fe8 B8 O32'
_cell_volume   603.81674174
_cell_formula_units_Z   8
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  0.02568100  0.99668000  0.54451000  1
  Li  Li1  1  0.52454000  0.99626300  0.93473400  1
  Li  Li2  1  0.95701000  0.23080400  0.22945300  1
  Li  Li3  1  0.47457300  0.22348100  0.32798200  1
  Li  Li4  1  0.95701000  0.26919600  0.72945300  1
  Li  Li5  1  0.47457300  0.27651900  0.82798200  1
  Li  Li6  1  0.52454000  0.50373700  0.43473400  1
  Li  Li7  1  0.02568100  0.50332000  0.04451000  1
  Li  Li8  1  0.47546000  0.49626300  0.93473400  1
  Li  Li9  1  0.97431900  0.49668000  0.54451000  1
  Li  Li10  1  0.52542700  0.72348100  0.32798200  1
  Li  Li11  1  0.04299000  0.73080400  0.22945300  1
  Li  Li12  1  0.52542700  0.77651900  0.82798200  1
  Li  Li13  1  0.04299000  0.76919600  0.72945300  1
  Li  Li14  1  0.47546000  0.00373700  0.43473400  1
  Li  Li15  1  0.97431900  0.00332000  0.04451000  1
  Fe  Fe16  1  0.51875100  0.01733700  0.69864900  1
  Fe  Fe17  1  0.48755000  0.23213500  0.05698100  1
  Fe  Fe18  1  0.48755000  0.26786500  0.55698100  1
  Fe  Fe19  1  0.51875100  0.48266300  0.19864900  1
  Fe  Fe20  1  0.48124900  0.51733700  0.69864900  1
  Fe  Fe21  1  0.51245000  0.73213500  0.05698100  1
  Fe  Fe22  1  0.51245000  0.76786500  0.55698100  1
  Fe  Fe23  1  0.48124900  0.98266300  0.19864900  1
  B  B24  1  0.02465700  0.01262100  0.81506200  1
  B  B25  1  0.98844800  0.23491300  0.42224600  1
  B  B26  1  0.98844800  0.26508700  0.92224600  1
  B  B27  1  0.02465700  0.48737900  0.31506200  1
  B  B28  1  0.97534300  0.51262100  0.81506200  1
  B  B29  1  0.01155200  0.73491300  0.42224600  1
  B  B30  1  0.01155200  0.76508700  0.92224600  1
  B  B31  1  0.97534300  0.98737900  0.31506200  1
  O  O32  1  0.28267000  0.00927800  0.31321100  1
  O  O33  1  0.87956700  0.00112000  0.21457000  1
  O  O34  1  0.83309100  0.10837000  0.37399300  1
  O  O35  1  0.36860200  0.02220800  0.07107000  1
  O  O36  1  0.11733300  0.16603100  0.84769800  1
  O  O37  1  0.55226500  0.23843200  0.68908500  1
  O  O38  1  0.21416400  0.16980300  0.48273600  1
  O  O39  1  0.79146900  0.17722400  0.97961600  1
  O  O40  1  0.21416400  0.33019700  0.98273600  1
  O  O41  1  0.79146900  0.32277600  0.47961600  1
  O  O42  1  0.11733300  0.33396900  0.34769800  1
  O  O43  1  0.55226500  0.26156800  0.18908500  1
  O  O44  1  0.36860200  0.47779200  0.57107000  1
  O  O45  1  0.83309100  0.39163000  0.87399300  1
  O  O46  1  0.28267000  0.49072200  0.81321100  1
  O  O47  1  0.87956700  0.49888000  0.71457000  1
  O  O48  1  0.12043300  0.50112000  0.21457000  1
  O  O49  1  0.71733000  0.50927800  0.31321100  1
  O  O50  1  0.16690900  0.60837000  0.37399300  1
  O  O51  1  0.63139800  0.52220800  0.07107000  1
  O  O52  1  0.44773500  0.73843200  0.68908500  1
  O  O53  1  0.88266700  0.66603100  0.84769800  1
  O  O54  1  0.20853100  0.67722400  0.97961600  1
  O  O55  1  0.78583600  0.66980300  0.48273600  1
  O  O56  1  0.20853100  0.82277600  0.47961600  1
  O  O57  1  0.78583600  0.83019700  0.98273600  1
  O  O58  1  0.44773500  0.76156800  0.18908500  1
  O  O59  1  0.88266700  0.83396900  0.34769800  1
  O  O60  1  0.63139800  0.97779200  0.57107000  1
  O  O61  1  0.16690900  0.89163000  0.87399300  1
  O  O62  1  0.12043300  0.99888000  0.71457000  1
  O  O63  1  0.71733000  0.99072200  0.81321100  1
