data_[Li3Ac3Mn6H24]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.6400]
_cell_length_b [4.6400]
_cell_length_c [17.1583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiAc(MnH4)2]
_chemical_formula_sum '[Li3 Ac3 Mn6 H24]'
_cell_volume [319.9212]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ac  Ac1  3  -0.0000  0.0000  0.5000  1
  Mn  Mn2  6  0.0000  0.0000  0.3108  1
  H  H3  18  0.0036  0.7203  0.3769  1
  H  H4  6  0.0000  0.0000  0.2093  1
]