# generated using pymatgen
data_Li3Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80786000
_cell_length_b   5.92590600
_cell_length_c   10.96933540
_cell_angle_alpha   62.84151498
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO3)2
_chemical_formula_sum   'Li12 Fe4 B8 O24'
_cell_volume   451.57905463
_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  0.71611400  0.62005300  0.87755600  1
  Li  Li1  1  0.79742800  0.05734800  0.42391600  1
  Li  Li2  1  0.55312400  0.72875400  0.61521900  1
  Li  Li3  1  0.05312400  0.27124600  0.88478100  1
  Li  Li4  1  0.21611400  0.37994700  0.62244400  1
  Li  Li5  1  0.70257200  0.05734800  0.92391600  1
  Li  Li6  1  0.29742800  0.94265200  0.07608400  1
  Li  Li7  1  0.78388600  0.62005300  0.37755600  1
  Li  Li8  1  0.94687600  0.72875400  0.11521900  1
  Li  Li9  1  0.44687600  0.27124600  0.38478100  1
  Li  Li10  1  0.20257200  0.94265200  0.57608400  1
  Li  Li11  1  0.28388600  0.37994700  0.12244400  1
  Fe  Fe12  1  0.62318800  0.10156300  0.16612700  1
  Fe  Fe13  1  0.12318800  0.89843700  0.33387300  1
  Fe  Fe14  1  0.87681200  0.10156300  0.66612700  1
  Fe  Fe15  1  0.37681200  0.89843700  0.83387300  1
  B  B16  1  0.90693600  0.63510800  0.62799200  1
  B  B17  1  0.93986500  0.19387700  0.10794100  1
  B  B18  1  0.40693600  0.36489200  0.87200800  1
  B  B19  1  0.43986500  0.80612300  0.39205900  1
  B  B20  1  0.56013500  0.19387700  0.60794100  1
  B  B21  1  0.59306400  0.63510800  0.12799200  1
  B  B22  1  0.06013500  0.80612300  0.89205900  1
  B  B23  1  0.09306400  0.36489200  0.37200800  1
  O  O24  1  0.79703100  0.76192000  0.67659300  1
  O  O25  1  0.44749200  0.61883800  0.79220100  1
  O  O26  1  0.97170100  0.76814600  0.49708500  1
  O  O27  1  0.81615700  0.27996100  0.00591600  1
  O  O28  1  0.88284300  0.11953300  0.24119400  1
  O  O29  1  0.47170100  0.23185400  0.00291500  1
  O  O30  1  0.10670900  0.15050700  0.08701600  1
  O  O31  1  0.60670900  0.84949300  0.41298400  1
  O  O32  1  0.38284300  0.88046700  0.25880600  1
  O  O33  1  0.31615700  0.72003900  0.49408400  1
  O  O34  1  0.94749200  0.38116200  0.70779900  1
  O  O35  1  0.29703100  0.23808000  0.82340700  1
  O  O36  1  0.70296900  0.76192000  0.17659300  1
  O  O37  1  0.05250800  0.61883800  0.29220100  1
  O  O38  1  0.68384300  0.27996100  0.50591600  1
  O  O39  1  0.61715700  0.11953300  0.74119400  1
  O  O40  1  0.39329100  0.15050700  0.58701600  1
  O  O41  1  0.89329100  0.84949300  0.91298400  1
  O  O42  1  0.52829900  0.76814600  0.99708500  1
  O  O43  1  0.11715700  0.88046700  0.75880600  1
  O  O44  1  0.18384300  0.72003900  0.99408400  1
  O  O45  1  0.02829900  0.23185400  0.50291500  1
  O  O46  1  0.55250800  0.38116200  0.20779900  1
  O  O47  1  0.20296900  0.23808000  0.32340700  1
