data_[Li2Zr1Ti1Si2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2962]
_cell_length_b [4.2962]
_cell_length_c [6.1288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2ZrTi(SiIr)2]
_chemical_formula_sum '[Li2 Zr1 Ti1 Si2 Ir2]'
_cell_volume [113.1224]
_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  2  0.0000  0.5000  0.7661  1
  Zr  Zr1  1  0.5000  0.5000  0.5000  1
  Ti  Ti2  1  0.0000  0.0000  0.0000  1
  Si  Si3  1  0.0000  0.0000  0.5000  1
  Si  Si4  1  0.5000  0.5000  0.0000  1
  Ir  Ir5  2  0.0000  0.5000  0.2370  1
]