data_[Ba4Yb2Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Yb  1.1000  1.7500  1.0840
  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 [10.4893]
_cell_length_b [6.0406]
_cell_length_c [6.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2YbTaO6]
_chemical_formula_sum '[Ba4 Yb2 Ta2 O12]'
_cell_volume [313.3816]
_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  0.2497  0.0000  0.7511  1.0
  Yb  Yb1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0209  0.2659  0.7532  1.0
  O  O4  4  0.2329  0.5000  0.6926  1.0
]