# generated using pymatgen
data_Li2MgB12(H4O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99297500
_cell_length_b   9.27152691
_cell_length_c   9.58938099
_cell_angle_alpha   107.85085041
_cell_angle_beta   88.94497872
_cell_angle_gamma   111.64567731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgB12(H4O7)4
_chemical_formula_sum   'Li2 Mg1 B12 H16 O28'
_cell_volume   546.91152853
_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  0.25849000  0.76509900  0.27520300  1
  Li  Li1  1  0.74151000  0.23490100  0.72479700  1
  Mg  Mg2  1  0.00000000  0.50000000  0.50000000  1
  B  B3  1  0.10758200  0.39595700  0.15799400  1
  B  B4  1  0.89241800  0.60404300  0.84200600  1
  B  B5  1  0.48269200  0.45283200  0.19554100  1
  B  B6  1  0.51730800  0.54716800  0.80445900  1
  B  B7  1  0.25289700  0.29643600  0.34738300  1
  B  B8  1  0.74710300  0.70356400  0.65261700  1
  B  B9  1  0.04784400  0.01119800  0.32623100  1
  B  B10  1  0.95215600  0.98880200  0.67376900  1
  B  B11  1  0.86263100  0.16511000  0.25180600  1
  B  B12  1  0.13736900  0.83489000  0.74819400  1
  B  B13  1  0.77857400  0.19489100  0.01458300  1
  B  B14  1  0.22142600  0.80510900  0.98541700  1
  H  H15  1  0.66079600  0.27374700  0.33966700  1
  H  H16  1  0.33920400  0.72625300  0.66033300  1
  H  H17  1  0.93108600  0.52803800  0.23046800  1
  H  H18  1  0.06891400  0.47196200  0.76953200  1
  H  H19  1  0.34329700  0.46944600  0.55784500  1
  H  H20  1  0.65670300  0.53055400  0.44215500  1
  H  H21  1  0.51063700  0.05414200  0.89038500  1
  H  H22  1  0.48936300  0.94585800  0.10961500  1
  H  H23  1  0.90024900  0.77755800  0.31388200  1
  H  H24  1  0.09975100  0.22244200  0.68611800  1
  H  H25  1  0.68878400  0.54941600  0.07115100  1
  H  H26  1  0.31121600  0.45058400  0.92884900  1
  H  H27  1  0.57438800  0.84949500  0.47975800  1
  H  H28  1  0.42561200  0.15050500  0.52024200  1
  H  H29  1  0.64438300  0.89898000  0.34000500  1
  H  H30  1  0.35561700  0.10102000  0.65999500  1
  O  O31  1  0.79093100  0.27121100  0.37318000  1
  O  O32  1  0.20906900  0.72878900  0.62682000  1
  O  O33  1  0.06590800  0.53341300  0.26745000  1
  O  O34  1  0.93409200  0.46658700  0.73255000  1
  O  O35  1  0.21798200  0.40346200  0.48651300  1
  O  O36  1  0.78201800  0.59653800  0.51348700  1
  O  O37  1  0.23712200  0.13841900  0.35780800  1
  O  O38  1  0.76287800  0.86158100  0.64219200  1
  O  O39  1  0.86848600  0.02365500  0.28572300  1
  O  O40  1  0.13151400  0.97634500  0.71427700  1
  O  O41  1  0.08450900  0.26565500  0.23211900  1
  O  O42  1  0.91549100  0.73434500  0.76788100  1
  O  O43  1  0.31915400  0.45215500  0.11852400  1
  O  O44  1  0.68084600  0.54784500  0.88147600  1
  O  O45  1  0.45791400  0.38026700  0.30455600  1
  O  O46  1  0.54208600  0.61973300  0.69544400  1
  O  O47  1  0.72799200  0.11211900  0.11630600  1
  O  O48  1  0.27200800  0.88788100  0.88369400  1
  O  O49  1  0.96190300  0.32298700  0.02802200  1
  O  O50  1  0.03809700  0.67701300  0.97197800  1
  O  O51  1  0.64087500  0.14718300  0.89240200  1
  O  O52  1  0.35912500  0.85281700  0.10759800  1
  O  O53  1  0.03981200  0.86276700  0.33705100  1
  O  O54  1  0.96018800  0.13723300  0.66294900  1
  O  O55  1  0.68364600  0.52667300  0.16612000  1
  O  O56  1  0.31635400  0.47332700  0.83388000  1
  O  O57  1  0.52631700  0.82708600  0.37710900  1
  O  O58  1  0.47368300  0.17291400  0.62289100  1
