data_[Sm4Mo4O16F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7607]
_cell_length_b [7.5170]
_cell_length_c [7.0868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMoO4F]
_chemical_formula_sum '[Sm4 Mo4 O16 F4]'
_cell_volume [494.7422]
_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  0.2038  0.0000  0.1059  1.0
  Mo  Mo1  4  0.1519  0.5000  0.2795  1.0
  O  O2  8  0.2071  0.3136  0.1569  1.0
  O  O3  4  0.0381  0.5000  0.7742  1.0
  O  O4  4  0.2373  0.5000  0.5391  1.0
  F  F5  4  0.0120  0.0000  0.8265  1.0
]