data_[Li6Ge8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1258]
_cell_length_b [5.8905]
_cell_length_c [11.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li3Ge4Ir]
_chemical_formula_sum '[Li6 Ge8 Ir2]'
_cell_volume [268.1578]
_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  4  0.0000  0.0000  0.1265  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  8  0.0000  0.2180  0.3301  1.0
  Ir  Ir3  2  0.0000  0.5000  0.5000  1.0
]