data_[Cs2Sc6Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9216]
_cell_length_b [4.1880]
_cell_length_c [10.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSc3(CuTe3)2]
_chemical_formula_sum '[Cs2 Sc6 Cu4 Te12]'
_cell_volume [716.0993]
_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  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  4  0.2111  0.5000  0.6342  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  4  0.2242  0.5000  0.9153  1.0
  Te  Te4  4  0.0724  0.5000  0.7123  1.0
  Te  Te5  4  0.1408  0.0000  0.4241  1.0
  Te  Te6  4  0.2029  0.5000  0.1503  1.0
]