data_[La4Ce6Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  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 [19.5281]
_cell_length_b [4.4466]
_cell_length_c [9.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ce3ScTe6]
_chemical_formula_sum '[La4 Ce6 Sc2 Te12]'
_cell_volume [760.5960]
_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
[
  La  La0  4  0.1652  0.0000  0.3323  1
  Ce  Ce1  4  0.1723  0.0000  0.8369  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0043  0.0000  0.7689  1
  Te  Te5  4  0.1577  0.5000  0.0748  1
  Te  Te6  4  0.1659  0.5000  0.5869  1
]