data_[La2Sc6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [12.1483]
_cell_length_b [4.2773]
_cell_length_c [12.4356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(ScTe2)3]
_chemical_formula_sum '[La2 Sc6 Te12]'
_cell_volume [609.7082]
_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  2  0.0515  0.7500  0.7017  1.0
  Sc  Sc1  2  0.1552  0.7500  0.0857  1.0
  Sc  Sc2  2  0.3201  0.2500  0.4980  1.0
  Sc  Sc3  2  0.4427  0.7500  0.8400  1.0
  Te  Te4  2  0.0853  0.2500  0.9127  1.0
  Te  Te5  2  0.1259  0.7500  0.4681  1.0
  Te  Te6  2  0.2035  0.2500  0.2482  1.0
  Te  Te7  2  0.2727  0.2500  0.7285  1.0
  Te  Te8  2  0.3888  0.7500  0.0580  1.0
  Te  Te9  2  0.4800  0.7500  0.6160  1.0
]