data_[Cs9Er3Th9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9708]
_cell_length_b [8.9708]
_cell_length_c [27.8219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3ErTh3Te8]
_chemical_formula_sum '[Cs9 Er3 Th9 Te24]'
_cell_volume [1938.9888]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  9  0.0000  0.5000  0.0000  1
  Er  Er1  3  0.0000  0.0000  0.5000  1
  Th  Th2  9  0.0000  0.5000  0.5000  1
  Te  Te3  18  0.0055  0.5027  0.2309  1
  Te  Te4  6  0.0000  0.0000  0.2337  1
]