data_[Li2Ac3Mo1O8]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6472]
_cell_length_b [5.6472]
_cell_length_c [7.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Ac3MoO8]
_chemical_formula_sum '[Li2 Ac3 Mo1 O8]'
_cell_volume [199.1152]
_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  2  0.3333  0.6667  0.2031  1
  Ac  Ac1  2  0.3333  0.6667  0.6506  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Mo  Mo3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1606  0.3212  0.3301  1
  O  O5  2  0.3333  0.6667  0.9536  1
]