data_[Cs8Th6Te16Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2402]
_cell_length_b [9.2076]
_cell_length_c [10.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4Th3Te8Au]
_chemical_formula_sum '[Cs8 Th6 Te16 Au2]'
_cell_volume [1326.0874]
_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  0.2500  0.2500  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.2500  0.2500  0.5000  1
  Th  Th4  2  0.0000  0.5000  0.5000  1
  Te  Te5  8  0.0221  0.2462  0.3167  1
  Te  Te6  4  0.2320  0.5000  0.6991  1
  Te  Te7  4  0.2367  0.0000  0.6932  1
  Au  Au8  2  0.0000  0.0000  0.5000  1
]