# generated using pymatgen
data_LiMg30BO31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43952200
_cell_length_b   8.55027200
_cell_length_c   8.60013400
_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   620.58746386
_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  0.00891000  0.00000000  1
  Mg  Mg1  1  0.00000000  0.99888300  0.50000000  1
  Mg  Mg2  1  0.50000000  0.99744600  0.50000000  1
  Mg  Mg3  1  0.00000000  0.49761200  0.00000000  1
  Mg  Mg4  1  0.50000000  0.49529500  0.00000000  1
  Mg  Mg5  1  0.00000000  0.50084300  0.50000000  1
  Mg  Mg6  1  0.50000000  0.50158500  0.50000000  1
  Mg  Mg7  1  0.25607500  0.99958800  0.25304200  1
  Mg  Mg8  1  0.74392500  0.99958800  0.25304200  1
  Mg  Mg9  1  0.25607500  0.99958800  0.74695800  1
  Mg  Mg10  1  0.74392500  0.99958800  0.74695800  1
  Mg  Mg11  1  0.24964200  0.49958400  0.24963800  1
  Mg  Mg12  1  0.75035800  0.49958400  0.24963800  1
  Mg  Mg13  1  0.24964200  0.49958400  0.75036200  1
  Mg  Mg14  1  0.75035800  0.49958400  0.75036200  1
  Mg  Mg15  1  0.26429800  0.74840900  0.00000000  1
  Mg  Mg16  1  0.73570200  0.74840900  0.00000000  1
  Mg  Mg17  1  0.25014100  0.74979200  0.50000000  1
  Mg  Mg18  1  0.74985900  0.74979200  0.50000000  1
  Mg  Mg19  1  0.24498700  0.25079500  0.00000000  1
  Mg  Mg20  1  0.75501300  0.25079500  0.00000000  1
  Mg  Mg21  1  0.24786000  0.24951800  0.50000000  1
  Mg  Mg22  1  0.75214000  0.24951800  0.50000000  1
  Mg  Mg23  1  0.00000000  0.75506800  0.24560000  1
  Mg  Mg24  1  0.50000000  0.75382300  0.24427100  1
  Mg  Mg25  1  0.00000000  0.75506800  0.75440000  1
  Mg  Mg26  1  0.50000000  0.75382300  0.75572900  1
  Mg  Mg27  1  0.00000000  0.24520100  0.24834800  1
  Mg  Mg28  1  0.50000000  0.24782000  0.26121200  1
  Mg  Mg29  1  0.00000000  0.24520100  0.75165200  1
  Mg  Mg30  1  0.50000000  0.24782000  0.73878800  1
  B  B31  1  0.50000000  0.06177100  0.00000000  1
  O  O32  1  0.50000000  0.72453600  0.00000000  1
  O  O33  1  0.00000000  0.74967800  0.50000000  1
  O  O34  1  0.50000000  0.74642000  0.50000000  1
  O  O35  1  0.00000000  0.24552200  0.00000000  1
  O  O36  1  0.50000000  0.23349200  0.00000000  1
  O  O37  1  0.00000000  0.24998900  0.50000000  1
  O  O38  1  0.50000000  0.25355900  0.50000000  1
  O  O39  1  0.25136800  0.75162100  0.24762700  1
  O  O40  1  0.74863200  0.75162100  0.24762700  1
  O  O41  1  0.25136800  0.75162100  0.75237300  1
  O  O42  1  0.74863200  0.75162100  0.75237300  1
  O  O43  1  0.25026800  0.24749700  0.24741800  1
  O  O44  1  0.74973200  0.24749700  0.24741800  1
  O  O45  1  0.25026800  0.24749700  0.75258200  1
  O  O46  1  0.74973200  0.24749700  0.75258200  1
  O  O47  1  0.33752000  0.00712900  0.00000000  1
  O  O48  1  0.66248000  0.00712900  0.00000000  1
  O  O49  1  0.24670300  0.99987600  0.50000000  1
  O  O50  1  0.75329700  0.99987600  0.50000000  1
  O  O51  1  0.25060100  0.49253000  0.00000000  1
  O  O52  1  0.74939900  0.49253000  0.00000000  1
  O  O53  1  0.24931200  0.49950300  0.50000000  1
  O  O54  1  0.75068800  0.49950300  0.50000000  1
  O  O55  1  0.00000000  0.00030300  0.24617800  1
  O  O56  1  0.50000000  0.00338300  0.26798300  1
  O  O57  1  0.00000000  0.00030300  0.75382200  1
  O  O58  1  0.50000000  0.00338300  0.73201700  1
  O  O59  1  0.00000000  0.49904800  0.24933500  1
  O  O60  1  0.50000000  0.49345100  0.24942600  1
  O  O61  1  0.00000000  0.49904800  0.75066500  1
  O  O62  1  0.50000000  0.49345100  0.75057400  1
