data_[Li4Zn2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9557]
_cell_length_b [2.5803]
_cell_length_c [4.8960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2ZnIr]
_chemical_formula_sum '[Li4 Zn2 Ir2]'
_cell_volume [112.5242]
_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  0.0070  0.0000  0.0074  1.0
  Li  Li1  2  0.2441  0.0000  0.7539  1.0
  Zn  Zn2  2  0.4957  0.0000  0.4826  1.0
  Ir  Ir3  2  0.2532  0.5000  0.2560  1.0
]