data_[Li1Ac2Re1O8]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5913]
_cell_length_b [5.3293]
_cell_length_c [7.2873]
_cell_angle_alpha [87.7717]
_cell_angle_beta [89.7814]
_cell_angle_gamma [87.7750]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAc2ReO8]
_chemical_formula_sum '[Li1 Ac2 Re1 O8]'
_cell_volume [178.0378]
_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  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  2  0.3045  0.4969  0.2213  1
  Re  Re2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.0997  0.5958  0.5397  1
  O  O4  2  0.1880  0.0075  0.2362  1
  O  O5  2  0.1904  0.2946  0.9098  1
  O  O6  2  0.2945  0.7836  0.9163  1
]