data_[Sc12Mo4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.2573]
_cell_length_b [10.0777]
_cell_length_c [7.0995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Sc3MoO7]
_chemical_formula_sum '[Sc12 Mo4 O28]'
_cell_volume [519.2373]
_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
[
  Sc  Sc0  8  0.2297  0.2353  0.2426  1
  Sc  Sc1  4  0.0448  0.5000  0.0000  1
  Mo  Mo2  4  0.0048  0.0000  0.0000  1
  O  O3  8  0.1882  0.1326  0.9555  1
  O  O4  8  0.2126  0.1238  0.5305  1
  O  O5  4  0.0000  0.0882  0.2500  1
  O  O6  4  0.0000  0.3591  0.2500  1
  O  O7  4  0.0000  0.3708  0.7500  1
]