data_[Ba1Gd1Mg1Nb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7124]
_cell_length_b [5.7127]
_cell_length_c [5.7218]
_cell_angle_alpha [90.6383]
_cell_angle_beta [119.0466]
_cell_angle_gamma [119.7925]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaGdMgNbO6]
_chemical_formula_sum '[Ba1 Gd1 Mg1 Nb1 O6]'
_cell_volume [133.5926]
_cell_formula_units_Z [1]
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  1  0.4955  0.7491  0.2436  1.0
  Gd  Gd1  1  0.4985  0.2767  0.7187  1.0
  Mg  Mg2  1  0.9995  0.0039  0.9964  1.0
  Nb  Nb3  1  0.9998  0.4992  0.4984  1.0
  O  O4  1  0.0028  0.2062  0.3114  1.0
  O  O5  1  0.1129  0.8590  0.7343  1.0
  O  O6  1  0.4935  0.6893  0.7317  1.0
  O  O7  1  0.5080  0.2741  0.3089  1.0
  O  O8  1  0.9431  0.6544  0.1791  1.0
  O  O9  1  0.9465  0.2880  0.7775  1.0
]