data_[Ac12Mo4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [7.9973]
_cell_length_b [11.3777]
_cell_length_c [8.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3MoO7]
_chemical_formula_sum '[Ac12 Mo4 O28]'
_cell_volume [734.7627]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  8  0.2339  0.2331  0.2500  1
  Ac  Ac1  4  0.0000  0.5000  0.0000  1
  Mo  Mo2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.1856  0.1178  0.5258  1
  O  O4  4  0.0000  0.0549  0.2500  1
  O  O5  4  0.0000  0.3680  0.2500  1
  O  O6  4  0.0000  0.3707  0.7500  1
]