data_[Li2Zr2I2O12]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8430]
_cell_length_b [4.8430]
_cell_length_c [9.2876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiZrIO6]
_chemical_formula_sum '[Li2 Zr2 I2 O12]'
_cell_volume [217.8330]
_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  0.0000  0.0000  0.0044  1.0
  Zr  Zr1  2  0.0000  0.0000  0.6752  1.0
  I  I2  2  0.0000  0.0000  0.3319  1.0
  O  O3  4  0.1838  0.8162  0.4850  1.0
  O  O4  4  0.1888  0.8112  0.1830  1.0
  O  O5  4  0.2211  0.7789  0.8262  1.0
]