data_[Li8Zr4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4746]
_cell_length_b [9.3993]
_cell_length_c [5.3055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2ZrO3]
_chemical_formula_sum '[Li8 Zr4 O12]'
_cell_volume [255.3883]
_cell_formula_units_Z [4]
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  0.0000  0.3463  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  4  0.0000  0.1680  0.5000  1.0
  O  O4  8  0.2451  0.1746  0.2668  1.0
  O  O5  4  0.2286  0.0000  0.7418  1.0
]