data_[Cs10Th2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.5533]
_cell_length_b [4.9675]
_cell_length_c [10.4395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5ThTe4]
_chemical_formula_sum '[Cs10 Th2 Te8]'
_cell_volume [1153.8935]
_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
[
  Cs  Cs0  4  0.1578  0.0000  0.3264  1
  Cs  Cs1  4  0.1782  0.0000  0.8387  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0072  0.0000  0.7990  1
  Te  Te5  4  0.1393  0.5000  0.0685  1
]