data_[Sr2Ca2Gd2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  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-4n2]
_cell_length_a [5.8216]
_cell_length_b [5.8216]
_cell_length_c [8.5314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [118]
_chemical_formula_structural [SrCaGdNbO6]
_chemical_formula_sum '[Sr2 Ca2 Gd2 Nb2 O12]'
_cell_volume [289.1373]
_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  0.5000  0.7500  1.0
  Ca  Ca1  2  0.0000  0.5000  0.2500  1.0
  Gd  Gd2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.5000  1.0
  O  O4  8  0.1596  0.6925  0.4853  1.0
  O  O5  4  0.0000  0.0000  0.2631  1.0
]