data_[Li4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7002]
_cell_length_b [2.7054]
_cell_length_c [6.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiIr2]
_chemical_formula_sum '[Li4 Ir8]'
_cell_volume [169.6911]
_cell_formula_units_Z [4]
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  0.0115  0.5000  0.8142  1.0
  Ir  Ir1  4  0.1350  0.0000  0.5209  1.0
  Ir  Ir2  4  0.2241  0.0000  0.1540  1.0
]