data_[Ce6Y4Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4850]
_cell_length_b [4.3395]
_cell_length_c [8.9235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Y2ScTe6]
_chemical_formula_sum '[Ce6 Y4 Sc2 Te12]'
_cell_volume [727.4747]
_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
[
  Ce  Ce0  4  0.1699  0.0000  0.8358  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.1661  0.0000  0.3331  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0008  0.0000  0.2327  1.0
  Te  Te5  4  0.1590  0.5000  0.0870  1.0
  Te  Te6  4  0.1691  0.5000  0.5769  1.0
]