# generated using pymatgen
data_Li3Mn2Fe(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18246500
_cell_length_b   5.22890300
_cell_length_c   9.69860248
_cell_angle_alpha   85.34907865
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)4
_chemical_formula_sum   'Li6 Mn4 Fe2 B8 O24'
_cell_volume   464.13746427
_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  0.22698100  0.83848300  0.65382400  1
  Li  Li1  1  0.23876200  0.80039800  0.11715900  1
  Li  Li2  1  0.73202400  0.66710700  0.83293200  1
  Li  Li3  1  0.76123800  0.30039800  0.61715900  1
  Li  Li4  1  0.77301900  0.33848300  0.15382400  1
  Li  Li5  1  0.26797600  0.16710700  0.33293200  1
  Mn  Mn6  1  0.55795000  0.85598300  0.11951400  1
  Mn  Mn7  1  0.07491200  0.64715800  0.37549900  1
  Mn  Mn8  1  0.44205000  0.35598300  0.61951400  1
  Mn  Mn9  1  0.92508800  0.14715800  0.87549900  1
  Fe  Fe10  1  0.73695700  0.68145200  0.38883500  1
  Fe  Fe11  1  0.26304300  0.18145200  0.88883500  1
  B  B12  1  0.55810800  0.82822400  0.60745000  1
  B  B13  1  0.90646200  0.84317100  0.13972000  1
  B  B14  1  0.06832000  0.67433000  0.88901100  1
  B  B15  1  0.40188500  0.65888900  0.36727100  1
  B  B16  1  0.09353800  0.34317100  0.63972000  1
  B  B17  1  0.44189200  0.32822400  0.10745000  1
  B  B18  1  0.59811500  0.15888900  0.86727100  1
  B  B19  1  0.93168000  0.17433000  0.38901100  1
  O  O20  1  0.60008200  0.90765500  0.92459200  1
  O  O21  1  0.90739700  0.90974600  0.40264700  1
  O  O22  1  0.18708200  0.83735200  0.89653900  1
  O  O23  1  0.27873000  0.80055500  0.34210500  1
  O  O24  1  0.93074900  0.76727600  0.86591400  1
  O  O25  1  0.53738300  0.77280800  0.32465200  1
  O  O26  1  0.42272500  0.72511900  0.63573100  1
  O  O27  1  0.03832000  0.73324800  0.18026100  1
  O  O28  1  0.77584700  0.71445800  0.17549100  1
  O  O29  1  0.67333700  0.66051100  0.58413000  1
  O  O30  1  0.10017400  0.58653300  0.57128300  1
  O  O31  1  0.41599500  0.58608900  0.10211800  1
  O  O32  1  0.09260300  0.40974600  0.90264700  1
  O  O33  1  0.39991800  0.40765500  0.42459200  1
  O  O34  1  0.72127000  0.30055500  0.84210500  1
  O  O35  1  0.46261700  0.27280800  0.82465200  1
  O  O36  1  0.81291800  0.33735200  0.39653900  1
  O  O37  1  0.06925100  0.26727600  0.36591400  1
  O  O38  1  0.96168000  0.23324800  0.68026100  1
  O  O39  1  0.22415300  0.21445800  0.67549100  1
  O  O40  1  0.57727500  0.22511900  0.13573100  1
  O  O41  1  0.32666300  0.16051100  0.08413000  1
  O  O42  1  0.58400500  0.08608900  0.60211800  1
  O  O43  1  0.89982600  0.08653300  0.07128300  1
