data_[Ba4Ce4Ag4Te12]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6108]
_cell_length_b [15.2603]
_cell_length_c [11.7632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCeAgTe3]
_chemical_formula_sum '[Ba4 Ce4 Ag4 Te12]'
_cell_volume [827.6889]
_cell_formula_units_Z [4]
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  0.0000  0.2455  0.2500  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.4710  0.7500  1.0
  Te  Te3  8  0.0000  0.3595  0.5586  1.0
  Te  Te4  4  0.0000  0.0812  0.7500  1.0
]