# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28434300
_cell_length_b   8.26038200
_cell_length_c   8.26080300
_cell_angle_alpha   60.05505754
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnFe2(BO3)3
_chemical_formula_sum   'Li6 Mn2 Fe4 B6 O18'
_cell_volume   371.58107550
_cell_formula_units_Z   2
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  0.74881100  0.69876400  0.01620900  1
  Li  Li1  1  0.25118900  0.69876400  0.01620900  1
  Li  Li2  1  0.74993200  0.28519000  0.69854500  1
  Li  Li3  1  0.25006800  0.28519000  0.69854500  1
  Li  Li4  1  0.25047700  0.01510000  0.28627800  1
  Li  Li5  1  0.74952300  0.01510000  0.28627800  1
  Mn  Mn6  1  0.00000000  0.98804700  0.64008100  1
  Mn  Mn7  1  0.00000000  0.37151100  0.98797600  1
  Fe  Fe8  1  0.50000000  0.99375100  0.63944200  1
  Fe  Fe9  1  0.50000000  0.36739500  0.99314000  1
  Fe  Fe10  1  0.00000000  0.64120700  0.36613400  1
  Fe  Fe11  1  0.50000000  0.63980200  0.36747200  1
  B  B12  1  0.00000000  0.99911500  0.00303600  1
  B  B13  1  0.50000000  0.99976200  0.99966700  1
  B  B14  1  0.74649400  0.33478400  0.33288200  1
  B  B15  1  0.25350600  0.33478400  0.33288200  1
  B  B16  1  0.74653800  0.66591100  0.66590500  1
  B  B17  1  0.25346200  0.66591100  0.66590500  1
  O  O18  1  0.50000000  0.80655200  0.08569400  1
  O  O19  1  0.00000000  0.80517300  0.08404400  1
  O  O20  1  0.74983800  0.44191400  0.41969400  1
  O  O21  1  0.25016200  0.44191400  0.41969400  1
  O  O22  1  0.00000000  0.11118300  0.80989400  1
  O  O23  1  0.50000000  0.10735500  0.80569200  1
  O  O24  1  0.74587000  0.42095000  0.13996400  1
  O  O25  1  0.25413000  0.42095000  0.13996400  1
  O  O26  1  0.74653800  0.14154700  0.43979100  1
  O  O27  1  0.25346200  0.14154700  0.43979100  1
  O  O28  1  0.74591900  0.77949500  0.74570100  1
  O  O29  1  0.25408100  0.77949500  0.74570100  1
  O  O30  1  0.00000000  0.07881000  0.11629500  1
  O  O31  1  0.50000000  0.08649500  0.10694000  1
  O  O32  1  0.74895400  0.74513000  0.47271400  1
  O  O33  1  0.25104600  0.74513000  0.47271400  1
  O  O34  1  0.25343500  0.47313600  0.77956400  1
  O  O35  1  0.74656500  0.47313600  0.77956400  1
