data_[Ba4Al2Mo6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.5487]
_cell_length_b [5.9157]
_cell_length_c [6.0518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2AlMo3O8]
_chemical_formula_sum '[Ba4 Al2 Mo6 O16]'
_cell_volume [413.4525]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.3265  0.0000  0.4906  1
  Al  Al1  2  0.0000  0.0000  0.3558  1
  Mo  Mo2  4  0.1377  0.0000  0.0026  1
  Mo  Mo3  2  0.5000  0.0000  0.9940  1
  O  O4  8  0.1176  0.2115  0.2990  1
  O  O5  4  0.3219  0.0000  0.9903  1
  O  O6  4  0.5000  0.2465  0.2467  1
]