data_[Sr4Nb8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8830]
_cell_length_b [3.8915]
_cell_length_c [5.9937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNb2O4]
_chemical_formula_sum '[Sr4 Nb8 O16]'
_cell_volume [391.2384]
_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
[
  Sr  Sr0  4  0.2269  0.0000  0.2626  1
  Nb  Nb1  4  0.0480  0.5000  0.3312  1
  Nb  Nb2  4  0.0788  0.0000  0.8282  1
  O  O3  4  0.0564  0.0000  0.1968  1
  O  O4  4  0.0647  0.5000  0.9154  1
  O  O5  4  0.1643  0.5000  0.4200  1
  O  O6  4  0.1900  0.0000  0.8401  1
]