# generated using pymatgen
data_LiMg30BO31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39421800
_cell_length_b   8.52597600
_cell_length_c   8.59669100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg30BO31
_chemical_formula_sum   'Li1 Mg30 B1 O31'
_cell_volume   615.25572888
_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  0.00000000  0.00266300  0.00000000  1
  Mg  Mg1  1  0.00000000  0.00158100  0.50000000  1
  Mg  Mg2  1  0.50000000  0.00341600  0.50000000  1
  Mg  Mg3  1  0.00000000  0.50052800  0.00000000  1
  Mg  Mg4  1  0.50000000  0.50216300  0.00000000  1
  Mg  Mg5  1  0.00000000  0.49941700  0.50000000  1
  Mg  Mg6  1  0.50000000  0.49890400  0.50000000  1
  Mg  Mg7  1  0.25597900  0.00039500  0.25374300  1
  Mg  Mg8  1  0.74402100  0.00039500  0.25374300  1
  Mg  Mg9  1  0.25597900  0.00039500  0.74625700  1
  Mg  Mg10  1  0.74402100  0.00039500  0.74625700  1
  Mg  Mg11  1  0.24985500  0.50127500  0.24972600  1
  Mg  Mg12  1  0.75014500  0.50127500  0.24972600  1
  Mg  Mg13  1  0.24985500  0.50127500  0.75027400  1
  Mg  Mg14  1  0.75014500  0.50127500  0.75027400  1
  Mg  Mg15  1  0.24709800  0.75139600  0.00000000  1
  Mg  Mg16  1  0.75290200  0.75139600  0.00000000  1
  Mg  Mg17  1  0.24790500  0.75054700  0.50000000  1
  Mg  Mg18  1  0.75209500  0.75054700  0.50000000  1
  Mg  Mg19  1  0.25930200  0.25308000  0.00000000  1
  Mg  Mg20  1  0.74069800  0.25308000  0.00000000  1
  Mg  Mg21  1  0.25005400  0.25070400  0.50000000  1
  Mg  Mg22  1  0.74994600  0.25070400  0.50000000  1
  Mg  Mg23  1  0.00000000  0.75534000  0.24648100  1
  Mg  Mg24  1  0.50000000  0.75405300  0.26020800  1
  Mg  Mg25  1  0.00000000  0.75534000  0.75351900  1
  Mg  Mg26  1  0.50000000  0.75405300  0.73979200  1
  Mg  Mg27  1  0.00000000  0.24589400  0.24429500  1
  Mg  Mg28  1  0.50000000  0.24578800  0.24267800  1
  Mg  Mg29  1  0.00000000  0.24589400  0.75570500  1
  Mg  Mg30  1  0.50000000  0.24578800  0.75732200  1
  B  B31  1  0.50000000  0.92996100  0.00000000  1
  O  O32  1  0.00000000  0.75565500  0.00000000  1
  O  O33  1  0.00000000  0.75022800  0.50000000  1
  O  O34  1  0.50000000  0.74690900  0.50000000  1
  O  O35  1  0.00000000  0.24861500  0.00000000  1
  O  O36  1  0.50000000  0.27300900  0.00000000  1
  O  O37  1  0.00000000  0.25077800  0.50000000  1
  O  O38  1  0.50000000  0.25429900  0.50000000  1
  O  O39  1  0.25063000  0.75264900  0.24744400  1
  O  O40  1  0.74937000  0.75264900  0.24744400  1
  O  O41  1  0.25063000  0.75264900  0.75255600  1
  O  O42  1  0.74937000  0.75264900  0.75255600  1
  O  O43  1  0.25067500  0.24837500  0.24607000  1
  O  O44  1  0.74932500  0.24837500  0.24607000  1
  O  O45  1  0.25067500  0.24837500  0.75393000  1
  O  O46  1  0.74932500  0.24837500  0.75393000  1
  O  O47  1  0.33701400  0.98876200  0.00000000  1
  O  O48  1  0.66298600  0.98876200  0.00000000  1
  O  O49  1  0.24657500  0.00051700  0.50000000  1
  O  O50  1  0.75342500  0.00051700  0.50000000  1
  O  O51  1  0.25053000  0.50762900  0.00000000  1
  O  O52  1  0.74947000  0.50762900  0.00000000  1
  O  O53  1  0.24938700  0.50053900  0.50000000  1
  O  O54  1  0.75061300  0.50053900  0.50000000  1
  O  O55  1  0.00000000  0.00042700  0.24573200  1
  O  O56  1  0.50000000  0.99826600  0.26913000  1
  O  O57  1  0.00000000  0.00042700  0.75426800  1
  O  O58  1  0.50000000  0.99826600  0.73087000  1
  O  O59  1  0.00000000  0.50096400  0.24887000  1
  O  O60  1  0.50000000  0.50664000  0.24915200  1
  O  O61  1  0.00000000  0.50096400  0.75113000  1
  O  O62  1  0.50000000  0.50664000  0.75084800  1
