# generated using pymatgen
data_LiMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21988585
_cell_length_b   6.21988537
_cell_length_c   10.15813105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg14B
_chemical_formula_sum   'Li1 Mg14 B1'
_cell_volume   340.33704766
_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  0.16666700  0.33333300  0.12500000  1
  Mg  Mg1  1  0.16910898  0.83455399  0.12500000  1
  Mg  Mg2  1  0.16285908  0.83142904  0.62500000  1
  Mg  Mg3  1  0.66544601  0.33089102  0.12500000  1
  Mg  Mg4  1  0.66857096  0.33714092  0.62500000  1
  Mg  Mg5  1  0.66544601  0.83455399  0.12500000  1
  Mg  Mg6  1  0.66857096  0.83142904  0.62500000  1
  Mg  Mg7  1  0.32790449  0.17209551  0.38385331  1
  Mg  Mg8  1  0.32790449  0.17209551  0.86614669  1
  Mg  Mg9  1  0.32790449  0.65580998  0.38385331  1
  Mg  Mg10  1  0.32790449  0.65580998  0.86614669  1
  Mg  Mg11  1  0.84419002  0.17209551  0.38385331  1
  Mg  Mg12  1  0.84419002  0.17209551  0.86614669  1
  Mg  Mg13  1  0.83333300  0.66666700  0.37127079  1
  Mg  Mg14  1  0.83333300  0.66666700  0.87872921  1
  B  B15  1  0.16666700  0.33333300  0.62500000  1
