data_[Rb2Th6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.6967]
_cell_length_b [4.5192]
_cell_length_c [13.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb(ThTe2)3]
_chemical_formula_sum '[Rb2 Th6 Te12]'
_cell_volume [818.2363]
_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  2  0.1090  0.7500  0.3770  1
  Th  Th1  2  0.1581  0.7500  0.0431  1
  Th  Th2  2  0.2814  0.2500  0.7289  1
  Th  Th3  2  0.4760  0.2500  0.3711  1
  Te  Te4  2  0.0520  0.2500  0.1355  1
  Te  Te5  2  0.1207  0.7500  0.6478  1
  Te  Te6  2  0.2555  0.2500  0.9501  1
  Te  Te7  2  0.3227  0.7500  0.2564  1
  Te  Te8  2  0.3520  0.2500  0.5319  1
  Te  Te9  2  0.4432  0.7500  0.8166  1
]