data_[Li12Ga4Ir2]
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 [7.1233]
_cell_length_b [13.2494]
_cell_length_c [3.0421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Ga2Ir]
_chemical_formula_sum '[Li12 Ga4 Ir2]'
_cell_volume [283.6790]
_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  8  0.1719  0.3321  0.8481  1.0
  Li  Li1  4  0.1981  0.5000  0.3727  1.0
  Ga  Ga2  4  0.0000  0.1555  0.5000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
]