data_[Li8Ga6Ir4]
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 [C2/m]
_cell_length_a [8.5577]
_cell_length_b [4.4257]
_cell_length_c [6.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Ga3Ir2]
_chemical_formula_sum '[Li8 Ga6 Ir4]'
_cell_volume [251.3784]
_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  0.1098  0.0000  0.6515  1.0
  Li  Li1  4  0.1749  0.5000  0.0129  1.0
  Ga  Ga2  4  0.0623  0.5000  0.3414  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.2121  0.0000  0.3176  1.0
]