data_[Tb2Sc6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [12.0629]
_cell_length_b [4.1970]
_cell_length_c [12.3320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(ScTe2)3]
_chemical_formula_sum '[Tb2 Sc6 Te12]'
_cell_volume [588.6460]
_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
[
  Tb  Tb0  2  0.0484  0.7500  0.7001  1.0
  Sc  Sc1  2  0.1557  0.7500  0.0826  1.0
  Sc  Sc2  2  0.3164  0.2500  0.4975  1.0
  Sc  Sc3  2  0.4366  0.7500  0.8381  1.0
  Te  Te4  2  0.0832  0.2500  0.9066  1.0
  Te  Te5  2  0.1166  0.7500  0.4686  1.0
  Te  Te6  2  0.1986  0.2500  0.2491  1.0
  Te  Te7  2  0.2627  0.2500  0.7243  1.0
  Te  Te8  2  0.3907  0.7500  0.0606  1.0
  Te  Te9  2  0.4790  0.7500  0.6168  1.0
]