data_[Li2Si4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2851]
_cell_length_b [5.0282]
_cell_length_c [6.9958]
_cell_angle_alpha [86.7627]
_cell_angle_beta [72.3373]
_cell_angle_gamma [79.2221]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(SiIr)2]
_chemical_formula_sum '[Li2 Si4 Ir4]'
_cell_volume [141.0928]
_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  2  0.4352  0.9094  0.6847  1.0
  Si  Si1  2  0.1064  0.7503  0.4397  1.0
  Si  Si2  2  0.1518  0.2930  0.0671  1.0
  Ir  Ir3  2  0.2660  0.8111  0.0750  1.0
  Ir  Ir4  2  0.2721  0.4326  0.6832  1.0
]