data_[Ba1Ce1Mg1Nb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  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 [5.7377]
_cell_length_b [5.7372]
_cell_length_c [5.7403]
_cell_angle_alpha [119.3097]
_cell_angle_beta [119.5624]
_cell_angle_gamma [90.4579]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaCeMgNbO6]
_chemical_formula_sum '[Ba1 Ce1 Mg1 Nb1 O6]'
_cell_volume [135.3450]
_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  0.7498  0.2449  0.4966  1.0
  Ce  Ce1  1  0.2709  0.7275  0.4992  1.0
  Mg  Mg2  1  0.0019  0.9975  0.9992  1.0
  Nb  Nb3  1  0.4992  0.4985  0.9990  1.0
  O  O4  1  0.2083  0.3040  0.9984  1.0
  O  O5  1  0.2729  0.2983  0.5082  1.0
  O  O6  1  0.2867  0.7773  0.9576  1.0
  O  O7  1  0.6685  0.1874  0.9563  1.0
  O  O8  1  0.6972  0.7315  0.4916  1.0
  O  O9  1  0.8446  0.7329  0.0939  1.0
]