data_[Ba2Sr2Gd2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Gd  1.2000  1.8000  1.0750
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0034]
_cell_length_b [6.0194]
_cell_length_c [8.4951]
_cell_angle_alpha [89.7255]
_cell_angle_beta [89.7461]
_cell_angle_gamma [89.7723]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSrGdNbO6]
_chemical_formula_sum '[Ba2 Sr2 Gd2 Nb2 O12]'
_cell_volume [306.9819]
_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
[
  Ba  Ba0  2  0.4948  0.4817  0.2499  1
  Sr  Sr1  2  0.0035  0.9736  0.2508  1
  Gd  Gd2  1  0.0000  0.5000  0.0000  1
  Gd  Gd3  1  0.5000  0.0000  0.5000  1
  Nb  Nb4  1  0.0000  0.5000  0.5000  1
  Nb  Nb5  1  0.5000  0.0000  0.0000  1
  O  O6  2  0.0557  0.4583  0.7341  1
  O  O7  2  0.1970  0.2294  0.4545  1
  O  O8  2  0.2358  0.2035  0.0466  1
  O  O9  2  0.2656  0.7039  0.4795  1
  O  O10  2  0.2929  0.7376  0.0257  1
  O  O11  2  0.4249  0.0112  0.7661  1
]