# generated using pymatgen
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36526000
_cell_length_b   8.26575900
_cell_length_c   8.27779092
_cell_angle_alpha   60.08305000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Mn5Fe(BO3)6
_chemical_formula_sum   'Li6 Mn5 Fe1 B6 O18'
_cell_volume   377.49118056
_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  0.24982700  0.98223400  0.30168100  1
  Li  Li1  1  0.75017300  0.98223400  0.30168100  1
  Li  Li2  1  0.25040100  0.30121000  0.71613100  1
  Li  Li3  1  0.74959900  0.30121000  0.71613100  1
  Li  Li4  1  0.74964400  0.71535900  0.98350200  1
  Li  Li5  1  0.25035600  0.71535900  0.98350200  1
  Mn  Mn6  1  0.00000000  0.35949500  0.01205000  1
  Mn  Mn7  1  0.50000000  0.36062800  0.01194300  1
  Mn  Mn8  1  0.00000000  0.01191400  0.62876600  1
  Mn  Mn9  1  0.50000000  0.01210300  0.62756800  1
  Mn  Mn10  1  0.00000000  0.62857500  0.35916400  1
  Fe  Fe11  1  0.50000000  0.63350800  0.35962600  1
  B  B12  1  0.00000000  0.00030200  0.99980900  1
  B  B13  1  0.50000000  0.99753300  0.00006300  1
  B  B14  1  0.25183000  0.66658000  0.66586600  1
  B  B15  1  0.74817000  0.66658000  0.66586600  1
  B  B16  1  0.25134200  0.33451800  0.33356000  1
  B  B17  1  0.74865800  0.33451800  0.33356000  1
  O  O18  1  0.50000000  0.91596600  0.19463400  1
  O  O19  1  0.00000000  0.92256900  0.19312000  1
  O  O20  1  0.25413200  0.58054300  0.55815600  1
  O  O21  1  0.74586800  0.58054300  0.55815600  1
  O  O22  1  0.00000000  0.19385700  0.88424100  1
  O  O23  1  0.50000000  0.19110400  0.88824800  1
  O  O24  1  0.24987900  0.86000400  0.58005300  1
  O  O25  1  0.75012100  0.86000400  0.58005300  1
  O  O26  1  0.25008500  0.55930300  0.85915500  1
  O  O27  1  0.74991500  0.55930300  0.85915500  1
  O  O28  1  0.25027500  0.25184200  0.22212800  1
  O  O29  1  0.74972500  0.25184200  0.22212800  1
  O  O30  1  0.00000000  0.88452500  0.92195300  1
  O  O31  1  0.50000000  0.88414300  0.92001100  1
  O  O32  1  0.25249100  0.52792700  0.25220400  1
  O  O33  1  0.74750900  0.52792700  0.25220400  1
  O  O34  1  0.74950200  0.22237300  0.52696300  1
  O  O35  1  0.25049800  0.22237300  0.52696300  1
