data_[Li1Ac3Mn2O9]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5677]
_cell_length_b [5.5677]
_cell_length_c [6.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiAc3Mn2O9]
_chemical_formula_sum '[Li1 Ac3 Mn2 O9]'
_cell_volume [183.8333]
_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  0.3333  0.6667  0.6586  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Mn  Mn3  2  0.3333  0.6667  0.1697  1
  O  O4  6  0.1734  0.3469  0.3244  1
  O  O5  3  0.0000  0.5000  0.0000  1
]