data_[Cs2Th2Sc2Te8]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6663]
_cell_length_b [7.7155]
_cell_length_c [10.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsThScTe4]
_chemical_formula_sum '[Cs2 Th2 Sc2 Te8]'
_cell_volume [597.2133]
_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  2  0.2518  0.2500  0.0492  1
  Th  Th1  2  0.2127  0.2500  0.5466  1
  Sc  Sc2  2  0.2425  0.7500  0.3388  1
  Te  Te3  4  0.0263  0.5099  0.6959  1
  Te  Te4  2  0.4541  0.7500  0.1781  1
  Te  Te5  2  0.4824  0.7500  0.5915  1
]