[CIF]
data_LiMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28001415
_cell_length_b   6.28001415
_cell_length_c   5.02573000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg3
_chemical_formula_sum   'Li2 Mg6'
_cell_volume   171.65285410
_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  3.14000707  1.81288393  3.76929750  1
  Li  Li1  1  -0.00000000  3.62576786  1.25643250  1
  Mg  Mg2  1  -0.00000000  1.83294345  3.76929750  1
  Mg  Mg3  1  1.55263148  4.52218006  3.76929750  1
  Mg  Mg4  1  -1.55263148  4.52218006  3.76929750  1
  Mg  Mg5  1  4.69263855  0.91647173  1.25643250  1
  Mg  Mg6  1  1.58737559  0.91647173  1.25643250  1
  Mg  Mg7  1  3.14000707  3.60570833  1.25643250  1
[/CIF]
