# generated using pymatgen
data_Li2MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21490900
_cell_length_b   6.21490900
_cell_length_c   6.21490900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgIr
_chemical_formula_sum   'Li8 Mg4 Ir4'
_cell_volume   240.05144357
_cell_formula_units_Z   4
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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.00000000  0.50000000  0.50000000  1
  Li  Li4  1  0.72856600  0.72856600  0.27143400  1
  Li  Li5  1  0.72856600  0.27143400  0.72856600  1
  Li  Li6  1  0.27143400  0.72856600  0.72856600  1
  Li  Li7  1  0.27143400  0.27143400  0.27143400  1
  Mg  Mg8  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg9  1  0.00000000  0.00000000  0.50000000  1
  Mg  Mg10  1  0.00000000  0.50000000  0.00000000  1
  Mg  Mg11  1  0.50000000  0.00000000  0.00000000  1
  Ir  Ir12  1  0.25250800  0.25250800  0.74749200  1
  Ir  Ir13  1  0.25250800  0.74749200  0.25250800  1
  Ir  Ir14  1  0.74749200  0.25250800  0.25250800  1
  Ir  Ir15  1  0.74749200  0.74749200  0.74749200  1
