data_[Ba4Pr2Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7203]
_cell_length_b [6.2029]
_cell_length_c [6.2521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2PrTeO6]
_chemical_formula_sum '[Ba4 Pr2 Te2 O12]'
_cell_volume [339.7629]
_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  0.2482  0.0000  0.7413  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0365  0.2634  0.3035  1.0
  O  O4  4  0.2335  0.5000  0.8014  1.0
]