data_[Cs8Li12Zr4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Ibam]
_cell_length_a [5.4262]
_cell_length_b [10.7042]
_cell_length_c [11.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Li3ZrO4]
_chemical_formula_sum '[Cs8 Li12 Zr4 O16]'
_cell_volume [679.9085]
_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
[
  Cs  Cs0  8  0.1886  0.3591  0.5000  1
  Li  Li1  8  0.0000  0.2611  0.2500  1
  Li  Li2  4  0.0000  0.5000  0.2500  1
  Zr  Zr3  4  0.0000  0.0000  0.2500  1
  O  O4  16  0.2482  0.3749  0.1880  1
]