# generated using pymatgen
data_LiMg30BO31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39557800
_cell_length_b   8.54534200
_cell_length_c   8.63106000
_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   619.21887379
_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  0.99763300  0.00000000  1
  Mg  Mg1  1  0.00000000  0.99755200  0.50000000  1
  Mg  Mg2  1  0.50000000  0.99772200  0.00000000  1
  Mg  Mg3  1  0.00000000  0.50113100  0.00000000  1
  Mg  Mg4  1  0.00000000  0.51020700  0.50000000  1
  Mg  Mg5  1  0.50000000  0.50175700  0.00000000  1
  Mg  Mg6  1  0.50000000  0.49461900  0.50000000  1
  Mg  Mg7  1  0.74440200  0.00033500  0.75888200  1
  Mg  Mg8  1  0.74440200  0.00033500  0.24111800  1
  Mg  Mg9  1  0.25559800  0.00033500  0.75888200  1
  Mg  Mg10  1  0.25559800  0.00033500  0.24111800  1
  Mg  Mg11  1  0.74998300  0.49913000  0.75102700  1
  Mg  Mg12  1  0.74998300  0.49913000  0.24897300  1
  Mg  Mg13  1  0.25001700  0.49913000  0.75102700  1
  Mg  Mg14  1  0.25001700  0.49913000  0.24897300  1
  Mg  Mg15  1  0.00000000  0.24482700  0.75880000  1
  Mg  Mg16  1  0.00000000  0.24482700  0.24120000  1
  Mg  Mg17  1  0.50000000  0.24776300  0.76235200  1
  Mg  Mg18  1  0.50000000  0.24776300  0.23764800  1
  Mg  Mg19  1  0.00000000  0.75425300  0.75347300  1
  Mg  Mg20  1  0.00000000  0.75425300  0.24652700  1
  Mg  Mg21  1  0.50000000  0.75453300  0.74423400  1
  Mg  Mg22  1  0.50000000  0.75453300  0.25576600  1
  Mg  Mg23  1  0.75380500  0.24638200  0.00000000  1
  Mg  Mg24  1  0.75495500  0.25177400  0.50000000  1
  Mg  Mg25  1  0.24619500  0.24638200  0.00000000  1
  Mg  Mg26  1  0.24504500  0.25177400  0.50000000  1
  Mg  Mg27  1  0.75190600  0.75332500  0.00000000  1
  Mg  Mg28  1  0.73672400  0.74720500  0.50000000  1
  Mg  Mg29  1  0.24809400  0.75332500  0.00000000  1
  Mg  Mg30  1  0.26327600  0.74720500  0.50000000  1
  B  B31  1  0.50000000  0.05894000  0.50000000  1
  O  O32  1  0.00000000  0.25653900  0.00000000  1
  O  O33  1  0.50000000  0.25444200  0.00000000  1
  O  O34  1  0.50000000  0.23047900  0.50000000  1
  O  O35  1  0.00000000  0.74342700  0.00000000  1
  O  O36  1  0.00000000  0.75772900  0.50000000  1
  O  O37  1  0.50000000  0.74576900  0.00000000  1
  O  O38  1  0.50000000  0.72276100  0.50000000  1
  O  O39  1  0.75071500  0.24778400  0.74778000  1
  O  O40  1  0.75071500  0.24778400  0.25222000  1
  O  O41  1  0.24928500  0.24778400  0.74778000  1
  O  O42  1  0.24928500  0.24778400  0.25222000  1
  O  O43  1  0.74936200  0.75195000  0.74576700  1
  O  O44  1  0.74936200  0.75195000  0.25423300  1
  O  O45  1  0.25063800  0.75195000  0.74576700  1
  O  O46  1  0.25063800  0.75195000  0.25423300  1
  O  O47  1  0.00000000  0.99904900  0.73292800  1
  O  O48  1  0.00000000  0.99904900  0.26707200  1
  O  O49  1  0.50000000  0.00435400  0.76758200  1
  O  O50  1  0.50000000  0.00435400  0.23241800  1
  O  O51  1  0.00000000  0.49975800  0.74615400  1
  O  O52  1  0.00000000  0.49975800  0.25384600  1
  O  O53  1  0.50000000  0.49187800  0.74763400  1
  O  O54  1  0.50000000  0.49187800  0.25236600  1
  O  O55  1  0.75049700  0.99999800  0.00000000  1
  O  O56  1  0.66397000  0.00346000  0.50000000  1
  O  O57  1  0.24950300  0.99999800  0.00000000  1
  O  O58  1  0.33603000  0.00346000  0.50000000  1
  O  O59  1  0.74961300  0.49972200  0.00000000  1
  O  O60  1  0.75171800  0.49296500  0.50000000  1
  O  O61  1  0.25038700  0.49972200  0.00000000  1
  O  O62  1  0.24828200  0.49296500  0.50000000  1
