data_[Li10Ga24Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2825]
_cell_length_b [12.7257]
_cell_length_c [6.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li5(Ga6Ir)2]
_chemical_formula_sum '[Li10 Ga24 Ir4]'
_cell_volume [642.2989]
_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  0.2625  0.5000  1.0
  Li  Li1  4  0.0000  0.3230  0.0000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  16  0.2308  0.1486  0.2827  1.0
  Ga  Ga4  4  0.0000  0.1062  0.0000  1.0
  Ga  Ga5  4  0.0000  0.5000  0.2946  1.0
  Ir  Ir6  4  0.2231  0.5000  0.0000  1.0
]