data_[Rb6Ba2Ce4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3251]
_cell_length_b [14.3909]
_cell_length_c [8.9650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ba(CeTe3)2]
_chemical_formula_sum '[Rb6 Ba2 Ce4 Te12]'
_cell_volume [1021.3443]
_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
[
  Rb  Rb0  4  0.0000  0.1596  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce3  4  0.0000  0.3325  0.0000  1.0
  Te  Te4  8  0.2495  0.3190  0.7940  1.0
  Te  Te5  4  0.2068  0.5000  0.2043  1.0
]