data_[Sr2Nb4O12]
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 [10.1723]
_cell_length_b [3.9157]
_cell_length_c [7.6421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNb2O6]
_chemical_formula_sum '[Sr2 Nb4 O12]'
_cell_volume [276.2569]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb1  4  0.1784  0.0000  0.6225  1.0
  O  O2  4  0.0175  0.0000  0.6799  1.0
  O  O3  4  0.1714  0.5000  0.1355  1.0
  O  O4  4  0.2008  0.5000  0.5662  1.0
]