data_[Li24Mg3Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9632]
_cell_length_b [6.9632]
_cell_length_c [15.3942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8MgIr6]
_chemical_formula_sum '[Li24 Mg3 Ir18]'
_cell_volume [646.4080]
_cell_formula_units_Z [3]
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  18  0.0469  0.2414  0.1656  1
  Li  Li1  6  0.0000  0.0000  0.4268  1
  Mg  Mg2  3  0.0000  0.0000  0.0000  1
  Ir  Ir3  18  0.0360  0.2409  0.6916  1
]