data_[Sc4Mo4Cl4O16]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6052]
_cell_length_b [7.0746]
_cell_length_c [9.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScMoClO4]
_chemical_formula_sum '[Sc4 Mo4 Cl4 O16]'
_cell_volume [552.4156]
_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  4  0.1827  0.0000  0.2155  1.0
  Mo  Mo1  4  0.1269  0.5000  0.3187  1.0
  Cl  Cl2  4  0.1225  0.0000  0.9204  1.0
  O  O3  8  0.1630  0.2937  0.2314  1.0
  O  O4  4  0.0757  0.5000  0.7181  1.0
  O  O5  4  0.2374  0.0000  0.4633  1.0
]