# generated using pymatgen
data_Li6Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.50047500
_cell_length_b   6.43980900
_cell_length_c   7.03248989
_cell_angle_alpha   76.11985951
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe(BO3)3
_chemical_formula_sum   'Li24 Fe4 B12 O36'
_cell_volume   725.45115801
_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  0.00445500  0.32085800  0.06919200  1
  Li  Li1  1  0.44552600  0.40565600  0.13637400  1
  Li  Li2  1  0.49554500  0.82085800  0.06919200  1
  Li  Li3  1  0.53810300  0.05456700  0.30429800  1
  Li  Li4  1  0.05447400  0.90565600  0.13637400  1
  Li  Li5  1  0.29335800  0.36583200  0.27123000  1
  Li  Li6  1  0.96189700  0.55456700  0.30429800  1
  Li  Li7  1  0.70638800  0.04959400  0.41180900  1
  Li  Li8  1  0.03095300  0.17110100  0.45759000  1
  Li  Li9  1  0.20664200  0.86583200  0.27123000  1
  Li  Li10  1  0.79361200  0.54959400  0.41180900  1
  Li  Li11  1  0.46904700  0.67110100  0.45759000  1
  Li  Li12  1  0.53095300  0.32889900  0.54241000  1
  Li  Li13  1  0.20638800  0.45040600  0.58819100  1
  Li  Li14  1  0.79335800  0.13416800  0.72877000  1
  Li  Li15  1  0.96904700  0.82889900  0.54241000  1
  Li  Li16  1  0.29361200  0.95040600  0.58819100  1
  Li  Li17  1  0.03810300  0.44543300  0.69570200  1
  Li  Li18  1  0.70664200  0.63416800  0.72877000  1
  Li  Li19  1  0.94552600  0.09434400  0.86362600  1
  Li  Li20  1  0.46189700  0.94543300  0.69570200  1
  Li  Li21  1  0.50445500  0.17914200  0.93080800  1
  Li  Li22  1  0.55447400  0.59434400  0.86362600  1
  Li  Li23  1  0.99554500  0.67914200  0.93080800  1
  Fe  Fe24  1  0.81666000  0.33130300  0.07494400  1
  Fe  Fe25  1  0.68334000  0.83130300  0.07494400  1
  Fe  Fe26  1  0.31666000  0.16869700  0.92505600  1
  Fe  Fe27  1  0.18334000  0.66869700  0.92505600  1
  B  B28  1  0.63695100  0.34410400  0.08199300  1
  B  B29  1  0.86304900  0.84410400  0.08199300  1
  B  B30  1  0.12453700  0.50068700  0.27957300  1
  B  B31  1  0.88237400  0.18905700  0.43100100  1
  B  B32  1  0.37546300  0.00068700  0.27957300  1
  B  B33  1  0.61762600  0.68905700  0.43100100  1
  B  B34  1  0.38237400  0.31094300  0.56899900  1
  B  B35  1  0.62453700  0.99931300  0.72042700  1
  B  B36  1  0.11762600  0.81094300  0.56899900  1
  B  B37  1  0.87546300  0.49931300  0.72042700  1
  B  B38  1  0.13695100  0.15589600  0.91800700  1
  B  B39  1  0.36304900  0.65589600  0.91800700  1
  O  O40  1  0.33379600  0.44875400  0.99089000  1
  O  O41  1  0.42383600  0.04342500  0.11350100  1
  O  O42  1  0.55450800  0.31973600  0.10154800  1
  O  O43  1  0.69144600  0.17464900  0.11841200  1
  O  O44  1  0.16620400  0.94875400  0.99089000  1
  O  O45  1  0.07616400  0.54342500  0.11350100  1
  O  O46  1  0.29497100  0.06056800  0.24158800  1
  O  O47  1  0.94549200  0.81973600  0.10154800  1
  O  O48  1  0.80855400  0.67464900  0.11841200  1
  O  O49  1  0.93238400  0.26749300  0.27185400  1
  O  O50  1  0.20502900  0.56056800  0.24158800  1
  O  O51  1  0.56761600  0.76749300  0.27185400  1
  O  O52  1  0.80066100  0.23572600  0.39588200  1
  O  O53  1  0.41515600  0.42393300  0.39495900  1
  O  O54  1  0.59394900  0.08395900  0.53687000  1
  O  O55  1  0.09394900  0.41604100  0.46313000  1
  O  O56  1  0.69933900  0.73572600  0.39588200  1
  O  O57  1  0.91515600  0.07606700  0.60504100  1
  O  O58  1  0.08484400  0.92393300  0.39495900  1
  O  O59  1  0.30066100  0.26427400  0.60411800  1
  O  O60  1  0.90605100  0.58395900  0.53687000  1
  O  O61  1  0.40605100  0.91604100  0.46313000  1
  O  O62  1  0.58484400  0.57606700  0.60504100  1
  O  O63  1  0.19933900  0.76427400  0.60411800  1
  O  O64  1  0.43238400  0.23250700  0.72814600  1
  O  O65  1  0.79497100  0.43943200  0.75841200  1
  O  O66  1  0.06761600  0.73250700  0.72814600  1
  O  O67  1  0.19144600  0.32535100  0.88158800  1
  O  O68  1  0.05450800  0.18026400  0.89845200  1
  O  O69  1  0.70502900  0.93943200  0.75841200  1
  O  O70  1  0.92383600  0.45657500  0.88649900  1
  O  O71  1  0.83379600  0.05124600  0.00911000  1
  O  O72  1  0.30855400  0.82535100  0.88158800  1
  O  O73  1  0.44549200  0.68026400  0.89845200  1
  O  O74  1  0.57616400  0.95657500  0.88649900  1
  O  O75  1  0.66620400  0.55124600  0.00911000  1
