data_[Ba2Gd1Mo1O6]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0422]
_cell_length_b [6.0538]
_cell_length_c [6.0582]
_cell_angle_alpha [119.5783]
_cell_angle_beta [119.4803]
_cell_angle_gamma [90.6673]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2GdMoO6]
_chemical_formula_sum '[Ba2 Gd1 Mo1 O6]'
_cell_volume [158.0013]
_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  2  0.2533  0.7517  0.5027  1.0
  Gd  Gd1  1  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.2411  0.7131  0.9911  1.0
  O  O4  2  0.2763  0.2652  0.5264  1.0
  O  O5  2  0.2866  0.2400  0.9870  1.0
]