data_[Ba1Ce1Te2O8]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2354]
_cell_length_b [6.2354]
_cell_length_c [7.6468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaCe(TeO4)2]
_chemical_formula_sum '[Ba1 Ce1 Te2 O8]'
_cell_volume [257.4762]
_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  0.0000  0.0000  0.0000  1
  Ce  Ce1  1  0.0000  0.0000  0.5000  1
  Te  Te2  2  0.3333  0.6667  0.7542  1
  O  O3  6  0.1566  0.3133  0.6967  1
  O  O4  2  0.3333  0.6667  0.9944  1
]