# generated using pymatgen
data_LiMg30BO31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46505800
_cell_length_b   8.46505800
_cell_length_c   8.54560400
_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   612.35411428
_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  0.00000000  0.99140400  1
  Mg  Mg1  1  0.00000000  0.50000000  0.00117000  1
  Mg  Mg2  1  0.50000000  0.00000000  0.00117000  1
  Mg  Mg3  1  0.00000000  0.00000000  0.49998600  1
  Mg  Mg4  1  0.00000000  0.50000000  0.49914800  1
  Mg  Mg5  1  0.50000000  0.00000000  0.49914800  1
  Mg  Mg6  1  0.50000000  0.50000000  0.49851200  1
  Mg  Mg7  1  0.24965500  0.24965500  0.00005700  1
  Mg  Mg8  1  0.24965500  0.75034500  0.00005700  1
  Mg  Mg9  1  0.75034500  0.24965500  0.00005700  1
  Mg  Mg10  1  0.75034500  0.75034500  0.00005700  1
  Mg  Mg11  1  0.24929400  0.24929400  0.50048700  1
  Mg  Mg12  1  0.24929400  0.75070600  0.50048700  1
  Mg  Mg13  1  0.75070600  0.24929400  0.50048700  1
  Mg  Mg14  1  0.75070600  0.75070600  0.50048700  1
  Mg  Mg15  1  0.00000000  0.24902300  0.24718000  1
  Mg  Mg16  1  0.00000000  0.75097700  0.24718000  1
  Mg  Mg17  1  0.50000000  0.25871800  0.24778500  1
  Mg  Mg18  1  0.50000000  0.74128200  0.24778500  1
  Mg  Mg19  1  0.00000000  0.24653700  0.75322300  1
  Mg  Mg20  1  0.00000000  0.75346300  0.75322300  1
  Mg  Mg21  1  0.50000000  0.24496700  0.75083800  1
  Mg  Mg22  1  0.50000000  0.75503300  0.75083800  1
  Mg  Mg23  1  0.24902300  0.00000000  0.24718000  1
  Mg  Mg24  1  0.25871800  0.50000000  0.24778500  1
  Mg  Mg25  1  0.75097700  0.00000000  0.24718000  1
  Mg  Mg26  1  0.74128200  0.50000000  0.24778500  1
  Mg  Mg27  1  0.24653700  0.00000000  0.75322300  1
  Mg  Mg28  1  0.24496700  0.50000000  0.75083800  1
  Mg  Mg29  1  0.75346300  0.00000000  0.75322300  1
  Mg  Mg30  1  0.75503300  0.50000000  0.75083800  1
  B  B31  1  0.50000000  0.50000000  0.95215300  1
  O  O32  1  0.00000000  0.50000000  0.24624500  1
  O  O33  1  0.50000000  0.00000000  0.24624500  1
  O  O34  1  0.50000000  0.50000000  0.26842200  1
  O  O35  1  0.00000000  0.00000000  0.74527600  1
  O  O36  1  0.00000000  0.50000000  0.75537900  1
  O  O37  1  0.50000000  0.00000000  0.75537900  1
  O  O38  1  0.50000000  0.50000000  0.78053200  1
  O  O39  1  0.25204800  0.25204800  0.24905300  1
  O  O40  1  0.25204800  0.74795200  0.24905300  1
  O  O41  1  0.74795200  0.25204800  0.24905300  1
  O  O42  1  0.74795200  0.74795200  0.24905300  1
  O  O43  1  0.25071100  0.25071100  0.75119600  1
  O  O44  1  0.25071100  0.74928900  0.75119600  1
  O  O45  1  0.74928900  0.25071100  0.75119600  1
  O  O46  1  0.74928900  0.74928900  0.75119600  1
  O  O47  1  0.00000000  0.26167200  0.99981100  1
  O  O48  1  0.00000000  0.73832800  0.99981100  1
  O  O49  1  0.50000000  0.28592000  0.99520400  1
  O  O50  1  0.50000000  0.71408000  0.99520400  1
  O  O51  1  0.00000000  0.25315400  0.50131100  1
  O  O52  1  0.00000000  0.74684600  0.50131100  1
  O  O53  1  0.50000000  0.25156600  0.50631400  1
  O  O54  1  0.50000000  0.74843400  0.50631400  1
  O  O55  1  0.26167200  0.00000000  0.99981100  1
  O  O56  1  0.28592000  0.50000000  0.99520400  1
  O  O57  1  0.73832800  0.00000000  0.99981100  1
  O  O58  1  0.71408000  0.50000000  0.99520400  1
  O  O59  1  0.25315400  0.00000000  0.50131100  1
  O  O60  1  0.25156600  0.50000000  0.50631400  1
  O  O61  1  0.74684600  0.00000000  0.50131100  1
  O  O62  1  0.74843400  0.50000000  0.50631400  1
