data_[Ba2Sr2Gd2Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1050]
_cell_length_b [6.1573]
_cell_length_c [8.6602]
_cell_angle_alpha [89.9030]
_cell_angle_beta [89.8110]
_cell_angle_gamma [89.9741]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSrGdBiO6]
_chemical_formula_sum '[Ba2 Sr2 Gd2 Bi2 O12]'
_cell_volume [325.5373]
_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  0.0062  0.0288  0.7500  1.0
  Sr  Sr1  2  0.4919  0.5367  0.7492  1.0
  Gd  Gd2  1  0.0000  0.5000  0.5000  1.0
  Gd  Gd3  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0878  0.5098  0.2414  1.0
  O  O7  2  0.2076  0.7765  0.9616  1.0
  O  O8  2  0.2227  0.7910  0.5344  1.0
  O  O9  2  0.2805  0.2972  0.9535  1.0
  O  O10  2  0.3008  0.2829  0.5452  1.0
  O  O11  2  0.4330  0.0380  0.2581  1.0
]