# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82946382
_cell_length_b   8.82946382
_cell_length_c   8.24687782
_cell_angle_alpha   62.22618156
_cell_angle_beta   62.22618156
_cell_angle_gamma   41.61653421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MnFe5(BO3)6
_chemical_formula_sum   'Li6 Mn1 Fe5 B6 O18'
_cell_volume   370.15517330
_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  0.24270900  0.74110900  0.30195000  1
  Li  Li1  1  0.74110900  0.24270900  0.30195000  1
  Li  Li2  1  0.40177000  0.90020900  0.71515000  1
  Li  Li3  1  0.90020900  0.40177000  0.71515000  1
  Li  Li4  1  0.10709600  0.60707100  0.98411900  1
  Li  Li5  1  0.60707100  0.10709600  0.98411900  1
  Mn  Mn6  1  0.00637300  0.00637300  0.62742000  1
  Fe  Fe7  1  0.17961300  0.17961300  0.00791800  1
  Fe  Fe8  1  0.68012100  0.68012100  0.00736800  1
  Fe  Fe9  1  0.50381000  0.50381000  0.63252500  1
  Fe  Fe10  1  0.81639900  0.81639900  0.35948700  1
  Fe  Fe11  1  0.31612600  0.31612600  0.35986100  1
  B  B12  1  0.58082100  0.08467500  0.66662200  1
  B  B13  1  0.08467500  0.58082100  0.66662200  1
  B  B14  1  0.41908200  0.91598200  0.33219200  1
  B  B15  1  0.91598200  0.41908200  0.33219200  1
  B  B16  1  0.99901700  0.99901700  0.00246400  1
  B  B17  1  0.49992000  0.49992000  0.00013400  1
  O  O18  1  0.45739900  0.45739900  0.19426800  1
  O  O19  1  0.95800800  0.95800800  0.19681100  1
  O  O20  1  0.03994300  0.53941500  0.55826300  1
  O  O21  1  0.53941500  0.03994300  0.55826300  1
  O  O22  1  0.09627600  0.09627600  0.89109300  1
  O  O23  1  0.59700100  0.59700100  0.89101000  1
  O  O24  1  0.67587100  0.18365300  0.58063800  1
  O  O25  1  0.18365300  0.67587100  0.58063800  1
  O  O26  1  0.02904800  0.52846400  0.86110900  1
  O  O27  1  0.52846400  0.02904800  0.86110900  1
  O  O28  1  0.37791500  0.87675400  0.21815400  1
  O  O29  1  0.87675400  0.37791500  0.21815400  1
  O  O30  1  0.44534600  0.44534600  0.91439300  1
  O  O31  1  0.94306300  0.94306300  0.92051700  1
  O  O32  1  0.51394900  0.01469400  0.25299800  1
  O  O33  1  0.01469400  0.51394900  0.25299800  1
  O  O34  1  0.36413400  0.85718300  0.52617200  1
  O  O35  1  0.85718300  0.36413400  0.52617200  1
