data_[Li2Ac3Mn1O8]
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 [5.5553]
_cell_length_b [5.5553]
_cell_length_c [7.0532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Ac3MnO8]
_chemical_formula_sum '[Li2 Ac3 Mn1 O8]'
_cell_volume [188.5112]
_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  0.2072  1
  Ac  Ac1  2  0.3333  0.6667  0.6372  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Mn  Mn3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1586  0.3172  0.3341  1
  O  O5  2  0.3333  0.6667  0.9527  1
]