data_[Ac2Fe1Mo1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5083]
_cell_length_b [5.5219]
_cell_length_c [7.1130]
_cell_angle_alpha [84.4993]
_cell_angle_beta [87.5645]
_cell_angle_gamma [83.9551]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2FeMoO8]
_chemical_formula_sum '[Ac2 Fe1 Mo1 O8]'
_cell_volume [175.1847]
_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
[
  Ac  Ac0  2  0.3112  0.4886  0.2438  1
  Fe  Fe1  1  0.0000  0.0000  0.5000  1
  Mo  Mo2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1884  0.2637  0.8670  1
  O  O4  2  0.1894  0.6927  0.5477  1
  O  O5  2  0.1921  0.0287  0.2582  1
  O  O6  2  0.3119  0.7598  0.9418  1
]