# generated using pymatgen
data_LiMg30BO32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54109300
_cell_length_b   8.54109300
_cell_length_c   8.40561800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg30BO32
_chemical_formula_sum   'Li1 Mg30 B1 O32'
_cell_volume   613.19209955
_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  0.00000000  1
  Mg  Mg1  1  0.50000000  0.00000000  0.00000000  1
  Mg  Mg2  1  0.50000000  0.00000000  0.50000000  1
  Mg  Mg3  1  0.00000000  0.50000000  0.00000000  1
  Mg  Mg4  1  0.00000000  0.50000000  0.50000000  1
  Mg  Mg5  1  0.50000000  0.50000000  0.00000000  1
  Mg  Mg6  1  0.50000000  0.50000000  0.50000000  1
  Mg  Mg7  1  0.25453500  0.00000000  0.25384400  1
  Mg  Mg8  1  0.25453500  0.00000000  0.74615600  1
  Mg  Mg9  1  0.74546500  0.00000000  0.25384400  1
  Mg  Mg10  1  0.74546500  0.00000000  0.74615600  1
  Mg  Mg11  1  0.25034700  0.50000000  0.24948600  1
  Mg  Mg12  1  0.25034700  0.50000000  0.75051400  1
  Mg  Mg13  1  0.74965300  0.50000000  0.24948600  1
  Mg  Mg14  1  0.74965300  0.50000000  0.75051400  1
  Mg  Mg15  1  0.00000000  0.25453500  0.25384400  1
  Mg  Mg16  1  0.00000000  0.25453500  0.74615600  1
  Mg  Mg17  1  0.50000000  0.25034700  0.24948600  1
  Mg  Mg18  1  0.50000000  0.25034700  0.75051400  1
  Mg  Mg19  1  0.00000000  0.74546500  0.25384400  1
  Mg  Mg20  1  0.00000000  0.74546500  0.74615600  1
  Mg  Mg21  1  0.50000000  0.74965300  0.24948600  1
  Mg  Mg22  1  0.50000000  0.74965300  0.75051400  1
  Mg  Mg23  1  0.24565500  0.24565500  0.00000000  1
  Mg  Mg24  1  0.24847500  0.24847500  0.50000000  1
  Mg  Mg25  1  0.75434500  0.24565500  0.00000000  1
  Mg  Mg26  1  0.75152500  0.24847500  0.50000000  1
  Mg  Mg27  1  0.24565500  0.75434500  0.00000000  1
  Mg  Mg28  1  0.24847500  0.75152500  0.50000000  1
  Mg  Mg29  1  0.75434500  0.75434500  0.00000000  1
  Mg  Mg30  1  0.75152500  0.75152500  0.50000000  1
  B  B31  1  0.00000000  0.00000000  0.50000000  1
  O  O32  1  0.00000000  0.24603700  0.00000000  1
  O  O33  1  0.00000000  0.26007300  0.50000000  1
  O  O34  1  0.50000000  0.24966100  0.00000000  1
  O  O35  1  0.50000000  0.25138600  0.50000000  1
  O  O36  1  0.00000000  0.75396300  0.00000000  1
  O  O37  1  0.00000000  0.73992700  0.50000000  1
  O  O38  1  0.50000000  0.75033900  0.00000000  1
  O  O39  1  0.50000000  0.74861400  0.50000000  1
  O  O40  1  0.24746300  0.24746300  0.25010200  1
  O  O41  1  0.24746300  0.24746300  0.74989800  1
  O  O42  1  0.75253700  0.24746300  0.25010200  1
  O  O43  1  0.75253700  0.24746300  0.74989800  1
  O  O44  1  0.24746300  0.75253700  0.25010200  1
  O  O45  1  0.24746300  0.75253700  0.74989800  1
  O  O46  1  0.75253700  0.75253700  0.25010200  1
  O  O47  1  0.75253700  0.75253700  0.74989800  1
  O  O48  1  0.00000000  0.00000000  0.33340700  1
  O  O49  1  0.00000000  0.00000000  0.66659300  1
  O  O50  1  0.50000000  0.00000000  0.24812800  1
  O  O51  1  0.50000000  0.00000000  0.75187200  1
  O  O52  1  0.00000000  0.50000000  0.24812800  1
  O  O53  1  0.00000000  0.50000000  0.75187200  1
  O  O54  1  0.50000000  0.50000000  0.24934800  1
  O  O55  1  0.50000000  0.50000000  0.75065200  1
  O  O56  1  0.24603700  0.00000000  0.00000000  1
  O  O57  1  0.26007300  0.00000000  0.50000000  1
  O  O58  1  0.75396300  0.00000000  0.00000000  1
  O  O59  1  0.73992700  0.00000000  0.50000000  1
  O  O60  1  0.24966100  0.50000000  0.00000000  1
  O  O61  1  0.25138600  0.50000000  0.50000000  1
  O  O62  1  0.75033900  0.50000000  0.00000000  1
  O  O63  1  0.74861400  0.50000000  0.50000000  1
