data_[Li14Zn4Ir4]
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 [C2/m]
_cell_length_a [6.9246]
_cell_length_b [7.7041]
_cell_length_c [6.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7(ZnIr)2]
_chemical_formula_sum '[Li14 Zn4 Ir4]'
_cell_volume [338.9218]
_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  0.2203  0.2970  0.1811  1.0
  Li  Li1  4  0.1695  0.0000  0.4273  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  4  0.0000  0.3192  0.5000  1.0
  Ir  Ir4  4  0.0782  0.5000  0.8400  1.0
]