data_[Li2Zn1Ir1]
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 [Pm]
_cell_length_a [2.5636]
_cell_length_b [4.1920]
_cell_length_c [5.2929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2ZnIr]
_chemical_formula_sum '[Li2 Zn1 Ir1]'
_cell_volume [55.3221]
_cell_formula_units_Z [1]
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  1  0.1054  0.0000  0.0067  1.0
  Li  Li1  1  0.1606  0.5000  0.7559  1.0
  Zn  Zn2  1  0.4505  0.0000  0.4893  1.0
  Ir  Ir3  1  0.7835  0.5000  0.2481  1.0
]