data_[Sm4Mo4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [10.4693]
_cell_length_b [7.4762]
_cell_length_c [7.0065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMoClO4]
_chemical_formula_sum '[Sm4 Mo4 Cl4 O16]'
_cell_volume [524.9576]
_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
[
  Sm  Sm0  4  0.2217  0.0000  0.1132  1.0
  Mo  Mo1  4  0.1374  0.5000  0.2683  1.0
  Cl  Cl2  4  0.0111  0.0000  0.7650  1.0
  O  O3  8  0.1969  0.3130  0.1512  1.0
  O  O4  4  0.0398  0.5000  0.7934  1.0
  O  O5  4  0.2068  0.5000  0.5307  1.0
]