data_[Sm12Nb4Se12O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8940]
_cell_length_b [7.7682]
_cell_length_c [14.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3NbSe3O4]
_chemical_formula_sum '[Sm12 Nb4 Se12 O16]'
_cell_volume [795.0513]
_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  8  0.2146  0.5070  0.6542  1
  Sm  Sm1  4  0.2169  0.7500  0.4173  1
  Nb  Nb2  4  0.1771  0.2500  0.4323  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.0025  0.7500  0.2286  1
  Se  Se5  4  0.0495  0.7500  0.7973  1
  O  O6  8  0.1150  0.0266  0.3848  1
  O  O7  4  0.1319  0.7500  0.5681  1
  O  O8  4  0.1436  0.2500  0.5630  1
]