data_[Ba4Ce2Ta2O12]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5795]
_cell_length_b [6.1128]
_cell_length_c [6.1565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CeTaO6]
_chemical_formula_sum '[Ba4 Ce2 Ta2 O12]'
_cell_volume [325.2359]
_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  4  0.2484  0.0000  0.7447  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0280  0.2668  0.2982  1.0
  O  O4  4  0.2301  0.5000  0.7835  1.0
]