# generated using pymatgen
data_LiMg6Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98073600
_cell_length_b   6.22015200
_cell_length_c   10.84427200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6Nb
_chemical_formula_sum   'Li2 Mg12 Nb2'
_cell_volume   335.96568587
_cell_formula_units_Z   2
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  0.50000000  0.32875700  1
  Li  Li1  1  0.00000000  0.00000000  0.82875700  1
  Mg  Mg2  1  0.00000000  0.26170800  0.08781200  1
  Mg  Mg3  1  0.00000000  0.73829200  0.08781200  1
  Mg  Mg4  1  0.00000000  0.00000000  0.33324400  1
  Mg  Mg5  1  0.50000000  0.74464600  0.41633300  1
  Mg  Mg6  1  0.50000000  0.25535400  0.41633300  1
  Mg  Mg7  1  0.50000000  0.00000000  0.16507600  1
  Mg  Mg8  1  0.00000000  0.76170800  0.58781200  1
  Mg  Mg9  1  0.00000000  0.23829200  0.58781200  1
  Mg  Mg10  1  0.00000000  0.50000000  0.83324400  1
  Mg  Mg11  1  0.50000000  0.24464600  0.91633300  1
  Mg  Mg12  1  0.50000000  0.75535400  0.91633300  1
  Mg  Mg13  1  0.50000000  0.50000000  0.66507600  1
  Nb  Nb14  1  0.50000000  0.50000000  0.16463400  1
  Nb  Nb15  1  0.50000000  0.00000000  0.66463400  1
