# generated using pymatgen
data_LiMg30BO31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40393600
_cell_length_b   8.54771300
_cell_length_c   8.61182600
_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   618.62563779
_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  0.01364300  0.00000000  1
  Mg  Mg1  1  0.00000000  0.00170500  0.50000000  1
  Mg  Mg2  1  0.50000000  0.00243500  0.50000000  1
  Mg  Mg3  1  0.00000000  0.49346000  0.00000000  1
  Mg  Mg4  1  0.50000000  0.50389800  0.00000000  1
  Mg  Mg5  1  0.00000000  0.49845100  0.50000000  1
  Mg  Mg6  1  0.50000000  0.49806000  0.50000000  1
  Mg  Mg7  1  0.25571600  0.99984800  0.25309700  1
  Mg  Mg8  1  0.74428400  0.99984800  0.25309700  1
  Mg  Mg9  1  0.25571600  0.99984800  0.74690300  1
  Mg  Mg10  1  0.74428400  0.99984800  0.74690300  1
  Mg  Mg11  1  0.24973900  0.50032200  0.24964100  1
  Mg  Mg12  1  0.75026100  0.50032200  0.24964100  1
  Mg  Mg13  1  0.24973900  0.50032200  0.75035900  1
  Mg  Mg14  1  0.75026100  0.50032200  0.75035900  1
  Mg  Mg15  1  0.24313500  0.74936500  0.00000000  1
  Mg  Mg16  1  0.75686500  0.74936500  0.00000000  1
  Mg  Mg17  1  0.24829700  0.75018200  0.50000000  1
  Mg  Mg18  1  0.75170300  0.75018200  0.50000000  1
  Mg  Mg19  1  0.26128100  0.25163500  0.00000000  1
  Mg  Mg20  1  0.73871900  0.25163500  0.00000000  1
  Mg  Mg21  1  0.25027700  0.24976100  0.50000000  1
  Mg  Mg22  1  0.74972300  0.24976100  0.50000000  1
  Mg  Mg23  1  0.00000000  0.75525000  0.24994000  1
  Mg  Mg24  1  0.50000000  0.75207600  0.26134400  1
  Mg  Mg25  1  0.00000000  0.75525000  0.75006000  1
  Mg  Mg26  1  0.50000000  0.75207600  0.73865600  1
  Mg  Mg27  1  0.00000000  0.24538800  0.24569200  1
  Mg  Mg28  1  0.50000000  0.24537100  0.24305000  1
  Mg  Mg29  1  0.00000000  0.24538800  0.75430800  1
  Mg  Mg30  1  0.50000000  0.24537100  0.75695000  1
  B  B31  1  0.50000000  0.94093200  0.00000000  1
  O  O32  1  0.50000000  0.76815800  0.00000000  1
  O  O33  1  0.00000000  0.74982900  0.50000000  1
  O  O34  1  0.50000000  0.74597200  0.50000000  1
  O  O35  1  0.00000000  0.24754500  0.00000000  1
  O  O36  1  0.50000000  0.27541600  0.00000000  1
  O  O37  1  0.00000000  0.25028300  0.50000000  1
  O  O38  1  0.50000000  0.25349900  0.50000000  1
  O  O39  1  0.25054500  0.75209600  0.24832000  1
  O  O40  1  0.74945500  0.75209600  0.24832000  1
  O  O41  1  0.25054500  0.75209600  0.75168000  1
  O  O42  1  0.74945500  0.75209600  0.75168000  1
  O  O43  1  0.25093800  0.24772500  0.24635300  1
  O  O44  1  0.74906200  0.24772500  0.24635300  1
  O  O45  1  0.25093800  0.24772500  0.75364700  1
  O  O46  1  0.74906200  0.24772500  0.75364700  1
  O  O47  1  0.33754400  0.99556200  0.00000000  1
  O  O48  1  0.66245600  0.99556200  0.00000000  1
  O  O49  1  0.24661200  0.99997800  0.50000000  1
  O  O50  1  0.75338800  0.99997800  0.50000000  1
  O  O51  1  0.24997500  0.50584100  0.00000000  1
  O  O52  1  0.75002500  0.50584100  0.00000000  1
  O  O53  1  0.24939200  0.49992200  0.50000000  1
  O  O54  1  0.75060800  0.49992200  0.50000000  1
  O  O55  1  0.00000000  0.00067200  0.24657400  1
  O  O56  1  0.50000000  0.99621300  0.26875600  1
  O  O57  1  0.00000000  0.00067200  0.75342600  1
  O  O58  1  0.50000000  0.99621300  0.73124400  1
  O  O59  1  0.00000000  0.49941600  0.24962800  1
  O  O60  1  0.50000000  0.50674300  0.24903000  1
  O  O61  1  0.00000000  0.49941600  0.75037200  1
  O  O62  1  0.50000000  0.50674300  0.75097000  1
