data_[Li4As2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6041]
_cell_length_b [3.0712]
_cell_length_c [4.5429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2AsIr]
_chemical_formula_sum '[Li4 As2 Ir2]'
_cell_volume [114.5040]
_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  0.0004  0.0000  0.9619  1
  Li  Li1  2  0.2427  0.0000  0.7932  1
  As  As2  2  0.4944  0.0000  0.4309  1
  Ir  Ir3  2  0.2625  0.5000  0.3140  1
]