data_[Li10Zn4Ir2]
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 [Pbam]
_cell_length_a [5.3227]
_cell_length_b [10.3991]
_cell_length_c [4.2281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li5Zn2Ir]
_chemical_formula_sum '[Li10 Zn4 Ir2]'
_cell_volume [234.0321]
_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  4  0.1070  0.2487  0.0000  1.0
  Li  Li1  4  0.1957  0.8743  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  4  0.1721  0.6111  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
]