data_[Li2Ac4Zr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8500]
_cell_length_b [6.0917]
_cell_length_c [10.0174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiAc2ZrO6]
_chemical_formula_sum '[Li2 Ac4 Zr2 O12]'
_cell_volume [293.0754]
_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  0.5000  1
  Ac  Ac1  4  0.2348  0.5578  0.7480  1
  Zr  Zr2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1584  0.6877  0.4534  1
  O  O4  4  0.2585  0.2100  0.4463  1
  O  O5  4  0.3509  0.5388  0.2536  1
]