data_[Mn4Al8Mo4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [C2/c]
_cell_length_a [10.6626]
_cell_length_b [9.0468]
_cell_length_c [5.7553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnAl2MoO6]
_chemical_formula_sum '[Mn4 Al8 Mo4 O24]'
_cell_volume [511.1604]
_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
[
  Mn  Mn0  4  0.0000  0.0970  0.2500  1.0
  Al  Al1  8  0.2031  0.4213  0.1667  1.0
  Mo  Mo2  4  0.0000  0.2661  0.7500  1.0
  O  O3  8  0.1021  0.2607  0.1283  1.0
  O  O4  8  0.1175  0.0979  0.6841  1.0
  O  O5  8  0.1506  0.4426  0.8300  1.0
]