# generated using pymatgen
data_LiMg9B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13970700
_cell_length_b   7.07529439
_cell_length_c   7.66146836
_cell_angle_alpha   96.39405566
_cell_angle_beta   101.40842660
_cell_angle_gamma   115.67982864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg9B20
_chemical_formula_sum   'Li1 Mg9 B20'
_cell_volume   286.60760574
_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  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.00000000  1.0
  Mg  Mg2  1  0.50010400  0.80011000  0.39974200  1.0
  Mg  Mg3  1  0.99976100  0.39702300  0.19826400  1.0
  Mg  Mg4  1  0.49989600  0.19989000  0.60025800  1.0
  Mg  Mg5  1  0.99970100  0.80043900  0.39846700  1.0
  Mg  Mg6  1  0.50369700  0.60293600  0.80179000  1.0
  Mg  Mg7  1  0.49630300  0.39706400  0.19821000  1.0
  Mg  Mg8  1  0.00029900  0.19956100  0.60153300  1.0
  Mg  Mg9  1  0.00023900  0.60297700  0.80173600  1.0
  B  B10  1  0.33315400  0.23358200  0.86667200  1.0
  B  B11  1  0.33423100  0.63400400  0.06679100  1.0
  B  B12  1  0.16520900  0.36544200  0.93197800  1.0
  B  B13  1  0.33325000  0.03365200  0.26636200  1.0
  B  B14  1  0.16507500  0.76641800  0.13335400  1.0
  B  B15  1  0.83492500  0.23358200  0.86664600  1.0
  B  B16  1  0.16464200  0.16466200  0.33229500  1.0
  B  B17  1  0.83479100  0.63455800  0.06802200  1.0
  B  B18  1  0.33432900  0.43372100  0.46737200  1.0
  B  B19  1  0.66576900  0.36599600  0.93320900  1.0
  B  B20  1  0.83495800  0.03353000  0.26662000  1.0
  B  B21  1  0.66684600  0.76641800  0.13332800  1.0
  B  B22  1  0.33489200  0.83466800  0.66747800  1.0
  B  B23  1  0.16526700  0.56548200  0.53311900  1.0
  B  B24  1  0.66510800  0.16533200  0.33252200  1.0
  B  B25  1  0.83473300  0.43451800  0.46688100  1.0
  B  B26  1  0.16504200  0.96647000  0.73338000  1.0
  B  B27  1  0.83535800  0.83533800  0.66770500  1.0
  B  B28  1  0.66567100  0.56627900  0.53262800  1.0
  B  B29  1  0.66675000  0.96634800  0.73363800  1.0