data_[Ba2Ca2Gd2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Gd  1.2000  1.8000  1.0750
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9176]
_cell_length_b [5.9657]
_cell_length_c [8.4145]
_cell_angle_alpha [90.4832]
_cell_angle_beta [90.4319]
_cell_angle_gamma [90.2317]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCaGdSbO6]
_chemical_formula_sum '[Ba2 Ca2 Gd2 Sb2 O12]'
_cell_volume [297.0325]
_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  0.4952  0.4747  0.7497  1.0
  Ca  Ca1  2  0.0055  0.9597  0.7467  1.0
  Gd  Gd2  1  0.0000  0.5000  0.0000  1.0
  Gd  Gd3  1  0.5000  0.0000  0.5000  1.0
  Sb  Sb4  1  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  1  0.5000  0.0000  0.0000  1.0
  O  O6  2  0.0574  0.4488  0.2662  1.0
  O  O7  2  0.1880  0.2223  0.5478  1.0
  O  O8  2  0.2282  0.1935  0.9450  1.0
  O  O9  2  0.2680  0.7033  0.5274  1.0
  O  O10  2  0.2982  0.7336  0.9638  1.0
  O  O11  2  0.4004  0.0025  0.2322  1.0
]